SCHEMBL8748693

SCHEMBL8748693

CCCCCC(C)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
GLA P06280 1/20 0.44
KCNH3 Q9ULD8 1/20 0.43
GAA P10253 1/20 0.43
MGLL Q99685 2/20 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
SCHEMBL9847271 0.88 PTGS2 (0.48) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL21941003 0.85 MAPT (0.50) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8116858 0.84 ALDH1A1 (0.49) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11442419 0.83 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7167102 0.83 CXCR4 (0.49) MAPTALDH1A1RECQLHSD17B10CA12
SCHEMBL11615334 0.83 MAPT (0.54) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28142388 0.82 ALDH1A1 (0.64) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8114852 0.82 MAPT (0.44) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL22071519 0.82 CA12 (0.49) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8114849 0.82 ALDH1A1 (0.46) MAPTALDH1A1LMNAHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641308-B1 PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES MONSANTO CO (US) 1997-03-12 EP disclosed
EP-0641308-A1 PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES. MONSANTO CO (US) 1995-03-08 EP disclosed
WO-1993024443-A1 PROCESS FOR PREPARING N-ALIPHATIC SUBSTITUTED P-PHENYLENEDIAMINES MONSANTO COMPANY (US) 1993-12-09 WO disclosed
US-5252737-A Process for preparing N-aliphatic substituted p-phenylenediamines MONSANTO COMPANY (US) 1993-10-12 US disclosed