SCHEMBL5496438

SCHEMBL5496438

Cc1cccc(-c2n[nH]cc2-c2ccnc3cc(Cl)ccc23)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 11/20 0.56
▸ MAPK14 Q16539 7/20 0.56
▸ THRB P10828 4/20 0.56
▸ TLR8 Q9NR97 1/20 0.42
▸ AR P10275 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ NR4A2 P43354 1/20 0.37
▸ SOS2 Q07890 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ BMP4 P12644 1/20 0.36
▸ CHKA P35790 1/20 0.36

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
SCHEMBL2044086 0.91 TGFBR1 (0.49) TGFBR1MAPK14THRBAAK1GABRG2
SCHEMBL2052409 0.89 TGFBR1 (0.51) TGFBR1MAPK14THRB
SCHEMBL2042895 0.87 TGFBR1 (0.49) TGFBR1MAPK14THRBARAAK1
SCHEMBL376179 0.85 TGFBR1 (0.67) TGFBR1MAPK14THRB
SCHEMBL2049330 0.84 TGFBR1 (0.59) TGFBR1MAPK14THRBGRM4
Fluoromethane SCHEMBL27755992 0.83 TGFBR1 (0.64) TGFBR1MAPK14THRB
SCHEMBL5488856 0.80 CRHR1 (0.45) TGFBR1MAPK14THRBGABRG2GABRB3
SCHEMBL6683670 0.79 TGFBR1 (0.48) TGFBR1MAPK14THRB
SCHEMBL2045360 0.78 TGFBR1 (0.47) TGFBR1MAPK14THRBAAK1
SCHEMBL5907474 0.76 TGFBR1 (0.46) TGFBR1MAPK14GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276525-B2 Osteogenesis-promotion enhancer and method of screening the same NIPPON SHINYAKU CO. LTD. (JP) 2007-10-02 — — US disclosed
US-20060183778-A1 Osteogenesis-promotion enhancer and method of screening the same JAPANESE FOUNDATION OF CANCER RESEARCH (JP) 2006-08-17 — — US disclosed
EP-1632249-A1 OSTEOGENESIS-PROMOTION ENHANCER AND METHOD OF SCREENING THE SAME Nippon Shinyaku Co., Ltd. (JP) 2006-03-08 — — EP disclosed
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