SCHEMBL6985846

SCHEMBL6985846

CC(C)Oc1cc(-c2ccc(=O)n(C(C)C)n2)n(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.41
MDM2 Q00987 2/20 0.41
MCL1 Q07820 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
SLC5A1 P13866 2/20 0.35
ADORA2A P29274 1/20 0.35
BRD4 O60885 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
SCHEMBL6986812 0.89 ALDH1A1 (0.40) BCL2MDM2MCL1TSHRALDH1A1
SCHEMBL6982469 0.87 CYP2C9 (0.39) BCL2MDM2MCL1TSHRALDH1A1
SCHEMBL6987183 0.86 TSHR (0.45) BCL2MDM2MCL1TSHRALDH1A1
SCHEMBL6987419 0.84 ALDH1A1 (0.43) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6983706 0.83 HTT (0.36) TSHRALDH1A1NPSR1HTTKMT2A
SCHEMBL6987971 0.82 HTT (0.38) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6986605 0.82 HTT (0.48) BCL2MDM2MCL1TSHRALDH1A1
SCHEMBL6983312 0.82 HTT (0.37) TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6986371 0.81 ALDH1A1 (0.41) BCL2MDM2MCL1TSHRALDH1A1
SCHEMBL6987355 0.81 ALDH1A1 (0.38) BCL2MDM2MCL1TSHRALDH1A1

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