SCHEMBL3630994

SCHEMBL3630994

OCCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.57
PTPN1 P18031 2/20 0.57
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CA2 P00918 2/20 0.46
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 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
SCHEMBL6001747 0.87 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL95319 0.83 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL5537909 0.79 PTPRZ1 (0.57) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL1161025 0.79 KDM4E (0.59) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL13064734 0.79 PTPRZ1 (0.57) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL696549 0.79 PTPRZ1 (0.57) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL18998006 0.78 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL5544527 0.76 PTPRZ1 (0.53) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL27597569 0.76 PTPRZ1 (0.53) PTPRZ1PTPN1ALDH1A1TDP1KDM4E
SCHEMBL10655803 0.76 ALDH1A1 (0.52) PTPRZ1PTPN1ALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 CN disclosed
EP-2148870-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed