Sugi Predict

Sugi Predict / Compounds / SCHEMBL16635252

SCHEMBL16635252

SCHEMBL16635252

[O]c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ HTT P42858 2/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL49837 0.84 LMNA (0.54) L3MBTL1ALDH1A1LMNAMAPK1HTT
SCHEMBL6290676 0.84 ALDH1A1 (0.61) L3MBTL1ALDH1A1LMNAMAPK1TDP1
SCHEMBL9713459 0.83 CYP1A2 (0.40) L3MBTL1ALDH1A1LMNAHTR1ASLC6A2
SCHEMBL6136698 0.83 ALDH1A1 (0.42) L3MBTL1ALDH1A1LMNAMAPK1TDP1
SCHEMBL6293775 0.81 ALDH1A1 (0.58) L3MBTL1ALDH1A1LMNAMAPK1TDP1
SCHEMBL6293841 0.81 L3MBTL1 (0.58) L3MBTL1ALDH1A1LMNAMAPK1TDP1
SCHEMBL6289924 0.81 ALDH1A1 (0.58) L3MBTL1ALDH1A1LMNAMAPK1TDP1
SCHEMBL6290609 0.81 ALDH1A1 (0.58) L3MBTL1ALDH1A1LMNAMAPK1TDP1
SCHEMBL5538018 0.81 SLC6A2 (0.50) L3MBTL1ALDH1A1LMNAMAPK1MAPT
SCHEMBL9046668 0.81 HTR2A (0.54) L3MBTL1ALDH1A1LMNAMAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023071973-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX, INC. (CN) 2023-05-04 — — WO disclosed
WO-2016192074-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — WO disclosed
WO-2016161571-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 — — WO disclosed
CN-103958465-B Phenyl derivatives 小野药品工业株式会社 2016-08-31 — — CN disclosed
WO-2016106626-A1 IMIDAZOPYRAZINE ANALOGS WITH 3-TERTIARY CARBON SUBSTITUTIONS AS BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106625-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106629-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106623-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106624-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106627-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106628-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106652-A1 BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
WO-2015051766-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY (ADP-RIBOSE) POLYMERASE INHIBITORS BETTA PHARMACEUTICALS CO., LTD (CN) 2015-04-16 — — WO disclosed