SCHEMBL9526113

SCHEMBL9526113

CCCOc1cccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX12 P18054 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
SCHEMBL9701382 0.95 SMN1; SMN2 (0.42) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL9528770 0.91 KDM4E (0.48) MAPTKDM4EGAATDP1THRB
SCHEMBL9700689 0.90 RAB9A (0.33) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL9701474 0.87 CYP1A2 (0.41) MAPTKDM4EGAAALDH1A1L3MBTL1
SCHEMBL9700666 0.85 ALDH1A1 (0.53) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9700824 0.84 CDC7 (0.45) MAPTKMT2AKDM4ETDP1ALDH1A1
SCHEMBL9525824 0.84 NPC1 (0.38) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL9701582 0.84 GCGR (0.39) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9700644 0.83 PDE5A (0.38) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL9701387 0.82 CYP2C9 (0.47) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19

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 3 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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed