SCHEMBL4649910

SCHEMBL4649910

Cc1cc(-c2cc[nH]n2)cc(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.31
CD44 P16070 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Hydrochloric Acid SCHEMBL5199562 0.98 TSHR (0.38) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL3342681 0.81 TSHR (0.44) TSHRALDH1A1CYP3A4TDP1LMNA
SCHEMBL5201169 0.80 TSHR (0.33) TSHRALDH1A1CYP3A4TDP1LMNA
SCHEMBL19039332 0.80 POLB (0.36) ALDH1A1POLBKDM4E
SCHEMBL28313237 0.74
SCHEMBL3447337 0.74 ALPL (0.47) TP53LMNAPOLBKDM4ENPC1
SCHEMBL22247554 0.74 NCF1 (0.34) ALDH1A1KDM4ENPC1
SCHEMBL5201371 0.74 TDP1 (0.50) TSHRALDH1A1CYP3A4TDP1TP53
SCHEMBL2771925 0.74 ALDH1A1 (0.43) TSHRALDH1A1TDP1KDM4ENPC1
SCHEMBL5111323 0.74 NOTUM (0.36) LMNAPOLBNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108495613-A composition for treating hair 欧莱雅 2018-09-04 CN disclosed
CN-108472235-A The composition for including heterocycle oxidation base and 2- amino -5- ethyl -phenol colour couplers for hair dyeing 莱雅公司 2018-08-31 CN disclosed
EP-1904442-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
WO-2007005503-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-01-11 WO disclosed
EP-1274390-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A 3,5-DIAMINO-PYRIDINE DERIVATIVE AND A CATIONIC OR AMPHOTERIC POLYMER L'OREAL (FR) 2003-01-15 EP disclosed
WO-2001078669-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A 3,5-DIAMINO-PYRIDINE DERIVATIVE AND A CATIONIC OR AMPHOTERIC POLYMER L'OREAL (FR) 2001-10-25 WO disclosed