SCHEMBL11511522

SCHEMBL11511522

CCCC(C)CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
RECQL P46063 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2929137 0.82 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL11512223 0.78 SMN1; SMN2 (0.57) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL11525238 0.78 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL11638101 0.78 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL11513173 0.77 CA1 (0.54) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL11325575 0.76 LMNA (0.67) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL11521917 0.76 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL14211024 0.76 KMT2A (0.58) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL8718043 0.74 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL3164500 0.74 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161540-A SUBSTITUTED ANILIDE SCHERING CORPORATION (US) 1979-07-17 US disclosed
US-4144270-A NITRO OR HALOGEN SUBSTITUTED CARBOCYCLIC AMIDES SCHERING CORPORATION (US) 1979-03-13 US disclosed
US-4139638-A NITRO OR HALOGEN SUBSTITUTED ANILIDES, ANTIANDROGENS, ACNE, CANCER SCHERING CORPORATION (US) 1979-02-13 US disclosed
US-3995060-A SUBSTITUTED ANILIDES SCHERING CORPORATION (US) 1976-11-30 US disclosed