SCHEMBL19972855

SCHEMBL19972855

CCCCCNc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.66
MAPT P10636 5/20 0.64
POLB P06746 2/20 0.64
PKM P14618 2/20 0.64
KAT2B Q92831 4/20 0.57
PRSS1 P07477 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CRHBP P24387 1/20 0.48
RAB9A P51151 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL8949389 0.91 MAPT (0.63) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL27688992 0.90 HCAR3 (0.63) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL14906561 0.84 KAT2B (0.74) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL29306545 0.84 HCAR3 (0.67) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL9820097 0.84 PRSS1 (0.57) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL2336839 0.83 HCAR3 (0.61) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL16151564 0.83 KAT2B (0.72) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL20968369 0.83 HCAR3 (0.66) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL1170111 0.83 HCAR3 (0.66) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL10428098 0.83 HCAR3 (0.66) HCAR3MAPTPOLBPKMKAT2B

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
EP-3515561-A1 METHODS AND KITS FOR COLORING HAIR Noxell Corporation (US) 2019-07-31 EP disclosed
WO-2018053522-A1 METHODS AND KITS FOR COLORING HAIR HITCHCOCK AGOSTINO ELIZABETH (US) 2018-03-22 WO disclosed