SCHEMBL6320754

SCHEMBL6320754

[NH]c1cccc(NCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KARS1 Q15046 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CAMK2D Q13557 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5726787 0.78 HPGD (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29631746 0.78 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL456414 0.78 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20429176 0.76 MAPT (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7283425 0.76 CAMK2D (0.57) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9366846 0.76 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6151959 0.76 KMT2A (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9480445 0.76 MAPT (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2754748 0.76 SYK (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29703846 0.76 SYK (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-6875873-B2 1,4-Diamino-2-(thiazol-2-yl)benzene derivatives, and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-04-05 US claimed