SCHEMBL11187012

SCHEMBL11187012

CCn1c(-c2cccc(Cl)c2)nc(N(C)N)nc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ PGR P06401 1/20 0.42
▸ MAOB P27338 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ AVPR1B P47901 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ TP53 P04637 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
SCHEMBL11189448 0.89 KDM4E (0.47) KDM4EALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL11185296 0.87 ALDH1A1 (0.45) KDM4EALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL11193230 0.86 ALDH1A1 (0.44) KDM4EALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL11191897 0.84 MEN1 (0.46) KDM4EALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL11186809 0.84 KDM4E (0.43) KDM4EALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL11186223 0.84 ALDH1A1 (0.43) KDM4EALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL11188420 0.84 MAP3K14 (0.36) POLBMEN1KMT2AHTTMAPT
SCHEMBL11191145 0.84 MAOB (0.50) KDM4EALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL11197654 0.82 KDM4E (0.41) KDM4EALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL11196590 0.81 FGFR1 (0.34) KDM4EALDH1A1TSHRCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4406897-A 6-Aryl-4-hydrazinyl-s-triazin-2-ones WILLIAM H. RORER, INC. (US) 1983-09-27 — — US disclosed
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