SCHEMBL9700644

SCHEMBL9700644

CCCOc1ccc(OCCC)c(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PDE2A O00408 1/20 0.35
PDE6D O43924 1/20 0.35
USP2 O75604 1/20 0.35
PDE9A O76083 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE4A P27815 1/20 0.35
PDE6B P35913 1/20 0.35

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
SCHEMBL9701582 0.93 GCGR (0.39) PDE5AMAOAMAOBALDH1A1KMT2A
SCHEMBL9525805 0.88 CDC7 (0.36) MAOAMAOBKMT2AMEN1MAPT
SCHEMBL7644729 0.86 PDE5A (0.47) PDE5AALDH1A1KMT2AMEN1MAPT
SCHEMBL9701474 0.84 CYP1A2 (0.41) ALDH1A1MAPTKDM4ECYP1A2HPGD
SCHEMBL9700689 0.84 RAB9A (0.33) PDE5AMAOAMAOBALDH1A1KMT2A
SCHEMBL9526113 0.83 MAPT (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9524898 0.81 PDE4A (0.37) PDE5AALDH1A1KMT2AMEN1MAPT
SCHEMBL9526401 0.81 PTPN1 (0.36) KMT2AMEN1MAPTUSP2LMNA
SCHEMBL9701387 0.80 CYP2C9 (0.47) LMNACYP1A2HPGDRAB9ASMN1; SMN2
SCHEMBL9701382 0.80 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1MAPTKDM4E

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed