SCHEMBL20436746

SCHEMBL20436746

CCOc1nc2cc(C)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL31578022 0.80 CYP1A2 (0.46) KDM4CRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11271873 0.80 KDM4C (0.39) KDM4CRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11271590 0.77 NPC1 (0.46) KDM4CRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11275736 0.77 ABL1 (0.45) KDM4CMAPK1
SCHEMBL2675687 0.77 DDAH1 (0.56) RAB9ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL19312483 0.76 KDM4C (0.42) KDM4CKMT2A
SCHEMBL11271918 0.76 MMP2 (0.49) KDM4CRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9339588 0.76 KDM4C (0.50) KDM4CRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11221064 0.76 PIN1 (0.45) RAB9ASMN1; SMN2KDM4EALDH1A1HPGD
Water SCHEMBL11275606 0.75 MMP2 (0.48) KDM4CRAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed