SCHEMBL10480294

SCHEMBL10480294

NCCNc1cc(Cl)cc(NCCN)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 6/20 0.43
KAT2B Q92831 7/20 0.42
PKM P14618 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HTR6 P50406 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 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
SCHEMBL9771617 0.83 MAPT (0.47) ALDH1A1TSHRMAPTPKMGAA
SCHEMBL9771579 0.80 ALDH1A1 (0.56) ALDH1A1TSHRMAPTPKMGAA
SCHEMBL9771656 0.79 LMNA (0.60) ALDH1A1TSHRMAPTPKMNPSR1
SCHEMBL9771587 0.79 KAT2B (0.63) ALDH1A1TSHRMAPTKAT2BGLA
SCHEMBL9000244 0.78 MAPT (0.43) ALDH1A1TSHRMAPTPKMGAA
SCHEMBL9820239 0.78 MAPT (0.45) ALDH1A1TSHRMAPTKAT2BGLA
Hydrochloric Acid SCHEMBL9771636 0.77 KAT2B (0.66) ALDH1A1TSHRMAPTKAT2BGLA
SCHEMBL9771692 0.76 ALDH1A1 (0.47) ALDH1A1TSHRMAPTPKMGAA
SCHEMBL9820263 0.76 NPC1 (0.45) ALDH1A1TSHRMAPTPKMGAA
SCHEMBL15423129 0.75 MAPT (0.43) ALDH1A1TSHRMAPTPKMGAA

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
US-4845293-A HAIR DYE L'OREAL (FR) 1989-07-04 US claimed
US-4845293-A HAIR DYE L'OREAL (FR) 1989-07-04 US disclosed