SCHEMBL6986812

SCHEMBL6986812

COc1cc(-c2ccc(=O)n(C(C)C)n2)n(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 2/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
BCL2 P10415 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL6985846 0.89 BCL2 (0.41) ALDH1A1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL6982469 0.88 CYP2C9 (0.39) ALDH1A1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL6990503 0.88 TSHR (0.39) ALDH1A1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL6987183 0.87 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2HTTNPSR1
SCHEMBL6987419 0.85 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL6979346 0.84 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL6983706 0.84 HTT (0.36) ALDH1A1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL6987271 0.84 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL6989453 0.84 KMT2A (0.42) ALDH1A1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL6986605 0.83 HTT (0.48) ALDH1A1KMT2ATSHRSMN1; SMN2HTT

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