SCHEMBL7987898

SCHEMBL7987898

CCOC(=O)c1nc(-c2cccc3ccccc23)n(Cc2ccccc2)c1-c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.56
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
HSD17B10 Q99714 2/20 0.45
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
F2RL3 Q96RI0 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL7988458 0.84 GABRA2 (0.49) CYP19A1ALDH1A1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7989365 0.81 MEN1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7995063 0.77 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL3400011 0.76 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2HSD17B10TSHR
SCHEMBL5548693 0.72 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2HSD17B10TSHR
SCHEMBL7989910 0.72 RAB9A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7989585 0.72 TARBP2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL3402362 0.70 MAPK1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL16038710 0.70 MAPT (0.54) CYP19A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL16039558 0.69 CYP19A1 (0.47) CYP19A1ALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed