SCHEMBL18954701

SCHEMBL18954701

CCOC(=O)C(C)N1C(=O)C(=O)c2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARK7 Q99497 2/20 0.42
▸ ALDH1A1 P00352 10/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 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
SCHEMBL18954601 0.90 PARK7 (0.51) PARK7ALDH1A1MEN1KMT2AMAPT
SCHEMBL18954643 0.85 SMAD3 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL18954784 0.85 TP53 (0.43) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL18954547 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL18954742 0.80 PPOX (0.39) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL17254677 0.77 PARK7 (0.45) PARK7ALDH1A1TRPA1ALOX15
SCHEMBL18955354 0.77 CASP3 (0.48) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL18955235 0.76 L3MBTL1 (0.47) PARK7ALDH1A1MEN1KMT2AMAPT
SCHEMBL10430383 0.75 ALDH1A1 (0.64) PARK7ALDH1A1MEN1KMT2AMAPT
SCHEMBL18954596 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTCYP2C19

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-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 — — WO disclosed
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