SCHEMBL9748835

SCHEMBL9748835

C(=Cc1ccccc1)Cc1cc[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
PAM P19021 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
HTR2A P28223 3/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8835924 0.74 IDO1 (0.42) IDO1PAMKDM4EALDH1A1MAPT
SCHEMBL15467989 0.73
SCHEMBL2088733 0.73
SCHEMBL5366453 0.73
SCHEMBL11440328 0.73
SCHEMBL24653562 0.73
SCHEMBL30301304 0.70 NPC1 (0.54) IDO1PAMKDM4EALDH1A1MAPT
SCHEMBL11212898 0.70 NPC1 (0.54) IDO1PAMKDM4EALDH1A1MAPT
SCHEMBL9519041 0.70 RAB9A (0.39) IDO1PAMKDM4ECYP3A4PTGER4
SCHEMBL1061998 0.69 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed