SCHEMBL10384686

SCHEMBL10384686

CCCCCCCCCCCCc1ccc(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
PLK1 P53350 1/20 0.51
PLK3 Q9H4B4 1/20 0.51
HCAR3 P49019 2/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44

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
SCHEMBL7959728 1.00 KMT2A (0.54) KMT2AMAPTNPSR1PLK1PLK3
SCHEMBL7203391 0.95 KMT2A (0.56) KMT2AMAPTNPSR1PLK1PLK3
SCHEMBL29511376 0.95 KMT2A (0.56) KMT2AMAPTNPSR1PLK1PLK3
SCHEMBL5952645 0.89 KMT2A (0.59) KMT2AMAPTNPSR1HCAR3HTT
SCHEMBL6623104 0.88 NPC1 (0.54) KMT2AMAPTPLK1PLK3HCAR3
SCHEMBL3850700 0.84 KMT2A (0.65) KMT2AMAPTNPSR1HCAR3HTT
SCHEMBL5870594 0.83 RAB9A (0.52) KMT2AMAPTPLK1PLK3HCAR3
SCHEMBL9739647 0.83 MAPT (0.57) KMT2AMAPTNPSR1HTTNPC1
SCHEMBL5562681 0.82 KMT2A (0.47) KMT2AMAPTPLK1PLK3HCAR3
SCHEMBL9365460 0.82 NPC1 (0.47) KMT2AMAPTNPSR1PLK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904712-A PHOTOSTABILIZERS/AGENTS/ CIBA-GEIGY CORPORATION (US) 1990-02-27 US disclosed
US-4847367-A PHOTOSTABILIZERS, CHEMICAL INTERMEDIATE CIBA-GEIGY CORPORATION (US) 1989-07-11 US disclosed
US-4727158-A PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed