SCHEMBL8880595

SCHEMBL8880595

CCCCC(=O)Nc1cccc([C]=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK10 P53779 1/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
EPHX2 P34913 1/20 0.52
HDAC3 O15379 1/20 0.51

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
SCHEMBL10780717 0.94 LMNA (0.57) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7452128 0.94 LMNA (0.57) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4085439 0.91 NPC1 (0.57) ALDH1A1SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL10969527 0.86 KDM4E (0.72) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2702562 0.84 RAB9A (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL15480392 0.82 LMNA (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21715155 0.82 HDAC3 (0.67) KDM4ESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL21715139 0.82 LMNA (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6561208 0.81 RAB9A (0.50) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL11901010 0.81 LMNA (0.69) KDM4EALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed