SCHEMBL29697829

SCHEMBL29697829

Cc1[nH]c(C(=O)O)c(-c2ccccc2F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.42
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC9A1 P19634 1/20 0.39
▸ RPA1 P27694 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL1127505 0.79 RPA1 (0.54) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL26597141 0.76 RAB9A (0.61) NPC1RAB9AALDH1A1ATML3MBTL1
SCHEMBL29697841 0.75 GAA (0.46) DHODHNPC1RAB9AALDH1A1KMT2A
SCHEMBL24072982 0.74 KDM4E (0.64) DHODHALDH1A1KMT2AKDM4EMEN1
SCHEMBL29002234 0.74 DHODH (0.45) DHODHNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL29697849 0.74 FBP1 (0.51) DHODHALDH1A1KMT2ARPA1MCL1
SCHEMBL27813582 0.73 ALDH1A1 (0.69) DHODHALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL10727565 0.73 DHODH (0.46) DHODHNPC1RAB9AALDH1A1LMNA
SCHEMBL26597135 0.72 GRIA2 (0.46) DHODHATMKMT2ADHFRALKBH5
SCHEMBL11736111 0.72 MAP2 (0.45) DHODHALDH1A1KMT2AMAPTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022134837-A1 PYRROLE DERIVATIVE, AND PREPARATION METHOD AND USE THEREFOR 深圳市祥根生物医药有限公司 2022-06-30 — — WO disclosed
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