SCHEMBL7213330

SCHEMBL7213330

CC1C(=O)Nc2ccccc21.O=C1c2cccc1c2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.55
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
CREBBP Q92793 2/20 0.42
BRPF1 P55201 1/20 0.42
IDO1 P14902 2/20 0.41
PARP1 P09874 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
BRD4 O60885 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDO2 P48775 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL19054962 0.86 BRPF1 (0.53) PGRCREBBPBRPF1IDO1PARP1
SCHEMBL260994 0.86 BRPF1 (0.53) PGRCREBBPBRPF1IDO1PARP1
SCHEMBL30088920 0.86 BRPF1 (0.53) PGRCREBBPBRPF1IDO1PARP1
SCHEMBL875747 0.73 BRPF1 (0.47) PGRACVR1CREBBPBRPF1IDO1
SCHEMBL8294613 0.73 BRPF1 (0.47) PGRACVR1CREBBPBRPF1IDO1
SCHEMBL14169780 0.72 CREBBP (0.65) PGRACVR1CREBBPBRPF1IDO1
SCHEMBL24112743 0.70 PGR (0.46) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13091038 0.70 PGR (0.46) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13366003 0.70 HTR5A (0.48) CREBBPBRPF1MAPTGAA
SCHEMBL31474673 0.70 HTR5A (0.48) CREBBPBRPF1MAPTGAA

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-0990637-A4 PROCESS FOR PRODUCING KETOPROFEN AND 5-BENZOYL-3-METHYL-2-INDOLINONE MEDICAL INFORMATION SERVICES I (JP) 2003-01-02 EP disclosed
WO-1998049127-A1 PROCESS FOR PRODUCING KETOPROFEN AND 5-BENZOYL-3-METHYL-2-INDOLINONE MEDICAL INFORMATION SERVICES, INC. (JP) 1998-11-05 WO disclosed