SCHEMBL5488856

SCHEMBL5488856

Cc1cccc(-c2n[nH]cc2-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.45
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TGFBR1 P36897 2/20 0.40
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
SIK2 Q9H0K1 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
ALPL P05186 1/20 0.37
HSD11B1 P28845 1/20 0.37
PAK1 Q13153 1/20 0.37
GRM5 P41594 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
METAP2 P50579 1/20 0.36
THRB P10828 1/20 0.36
MAPK14 Q16539 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
SCHEMBL5496438 0.80 TGFBR1 (0.56) TGFBR1GABRG2GABRB3GABRA5GRM5
SCHEMBL2044086 0.80 TGFBR1 (0.49) TGFBR1GABRG2GABRB3GABRA5THRB
SCHEMBL2615267 0.80 HSP90AA1 (0.57) CRHR1HSP90AA1HSP90AB1TGFBR1CCR1
SCHEMBL17714135 0.76 CRHR1 (0.41) CRHR1HSP90AA1HSP90AB1HSD11B1MAPT
SCHEMBL5907474 0.76 TGFBR1 (0.46) TGFBR1GRM5MAPK14
SCHEMBL27648484 0.75 TGFBR1 (0.52) TGFBR1CCR1CCR8METAP2MAPK14
SCHEMBL5492614 0.74 TGFBR1 (0.58) TGFBR1CCR1CCR8GRM5METAP2
SCHEMBL4338636 0.74 HSD11B1 (0.47) CRHR1HSP90AA1HSP90AB1ALPLHSD11B1
SCHEMBL8746755 0.74 MAPT (0.49) CRHR1HSP90AA1HSP90AB1ALPLHSD11B1
SCHEMBL28758711 0.73 TGFBR1 (0.45) TGFBR1CCR1CCR8GRM5METAP2

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