SCHEMBL9529181

SCHEMBL9529181

c1ccc(COc2ccc3[nH]c(Cc4cccnc4)cc3c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
IDO1 P14902 3/20 0.43
ALOX5AP P20292 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 1/20 0.41
DYRK1A Q13627 1/20 0.41
PRKDC P78527 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PRMT5 O14744 1/20 0.39

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
SCHEMBL9529157 0.85 PDE10A (0.54) ALOX5AP
SCHEMBL9531674 0.83 PDE10A (0.46) MAOAMAOBCYP1A2ALOX5APKDM4E
SCHEMBL19050214 0.76 IDO1 (0.57) IDO1KDM4EHSD17B10
SCHEMBL9531945 0.75 PDE10A (0.51) CYP1A2ALOX5AP
SCHEMBL27686497 0.74 KDM4E (0.46) MAOAMAOBCYP1A2KDM4EHSD17B10
SCHEMBL8812007 0.74 HRH4 (0.47) IDO1
SCHEMBL9205336 0.72 KDM4C (0.46) CYP1A2CYP2D6ALOX5APCYP2C9PRKDC
SCHEMBL4311301 0.71 KDM4E (0.71) CYP1A2IDO1KDM4EHSD17B10ALDH1A1
SCHEMBL5407358 0.71 MAOB (0.51) MAOAMAOBKDM4EALDH1A1DYRK1A
SCHEMBL6990842 0.70 MAOB (0.57) MAOAMAOBCYP1A2KDM4EHSD17B10

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-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP claimed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO claimed
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO disclosed