SCHEMBL3433628

SCHEMBL3433628

Nc1cccc(N=Nc2ccc3ccc(N=Nc4ccc([N+](=O)[O-])cc4)c(O)c3c2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
ENPP2 Q13822 3/20 0.47
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 2/20 0.41
HSP90AA1 P07900 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 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
SCHEMBL3435541 0.89 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL31222686 0.89 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3434070 0.89 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3201797 0.88 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3435549 0.86 SENP2 (0.51) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3434187 0.84 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3435582 0.83 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3434173 0.82 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3435585 0.81 ENPP2 (0.51) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3433610 0.81 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPTNPSR1

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-8834620-B2 Black disazo dyes, their preparation and use ILFORD IMAGING SWITZERLAND GMBH (CH) 2014-09-16 US disclosed
US-20120090503-A1 BLACK DISAZO DYES, THEIR PREPARATION AND USE ILFORD IMAGING SWITZERLAND GMBH 2012-04-19 US disclosed