SCHEMBL11829587

SCHEMBL11829587

CCCCNC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.68
MAPT P10636 6/20 0.68
MEN1 O00255 5/20 0.68
NPSR1 Q6W5P4 2/20 0.68
NPC1 O15118 1/20 0.68
MAPK1 P28482 1/20 0.68
RAB9A P51151 1/20 0.68
MYOC Q99972 1/20 0.68
ALDH1A1 P00352 4/20 0.63
HTT P42858 3/20 0.63
MGLL Q99685 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 2/20 0.63
POLB P06746 3/20 0.60
TBXA2R P21731 1/20 0.53
CNR1 P21554 1/20 0.53
ALOX12 P18054 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4785959 0.96 KMT2A (0.67) KMT2AMAPTMEN1NPSR1NPC1
SCHEMBL11841105 0.95 MAPT (0.65) KMT2AMAPTMEN1NPSR1NPC1
SCHEMBL11832841 0.92 KMT2A (0.72) KMT2AMAPTMEN1NPSR1NPC1
SCHEMBL11835233 0.87 KMT2A (0.76) KMT2AMAPTMEN1NPSR1NPC1
SCHEMBL9770215 0.87 ALDH1A1 (0.65) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL11832585 0.86 MEN1 (0.68) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL11766882 0.85 KMT2A (0.65) KMT2AMAPTMEN1NPSR1MAPK1
SCHEMBL11834466 0.85 KMT2A (0.72) KMT2AMAPTMEN1NPSR1NPC1
SCHEMBL6907398 0.84 POLB (0.72) KMT2AMAPTMEN1NPSR1NPC1
SCHEMBL4785961 0.84 TBXA2R (0.59) KMT2AMAPTMEN1MGLLSMN1; SMN2

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-3933814-A ANTIPROTOZOA, ANTICOCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed