SCHEMBL6981802

SCHEMBL6981802

CC(C)n1nc(-c2cc(N3CCN(S(C)(=O)=O)CC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
DCTPP1 Q9H773 1/20 0.42
LMNA P02545 1/20 0.39
AGTR2 P50052 1/20 0.37
CYP2C9 P11712 2/20 0.36
RORC P51449 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DPP4 P27487 1/20 0.35
CTSS P25774 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL6984282 0.90 HSD17B10 (0.43) ALDH1A1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL6981026 0.90 AGTR2 (0.40) ALDH1A1LMNAAGTR2CYP2C9TSHR
SCHEMBL6984622 0.88 AGTR2 (0.39) ALDH1A1LMNAAGTR2CYP1A2TSHR
SCHEMBL6986283 0.85 HTR2C (0.42) AGTR2
SCHEMBL6988437 0.85 ALDH1A1 (0.45) ALDH1A1LMNATSHRNPC1RAB9A
SCHEMBL6986113 0.84 AGTR2 (0.41) ALDH1A1LMNAAGTR2KMT2ASMN1; SMN2
SCHEMBL6983767 0.83 DRD4 (0.41) ALDH1A1LMNAAGTR2TSHRNPC1
SCHEMBL6986237 0.83 AGTR2 (0.39) ALDH1A1LMNAAGTR2NPSR1MAPT
SCHEMBL6988584 0.82 USP2 (0.43) ALDH1A1LMNAAGTR2TSHRRAB9A
SCHEMBL6984642 0.81 HRH3 (0.39) AGTR2RORC

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-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed