SCHEMBL9101995

SCHEMBL9101995

Cc1ccc([N+](=O)[O-])c(Cl)c1.O=C(O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MAPT P10636 8/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.46

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
SCHEMBL231457 0.84 KMT2A (0.72) KMT2AMAPTNPC1RAB9ASMN1; SMN2
Potassium Ion SCHEMBL11056843 0.83 KMT2A (0.70) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11054244 0.83 KMT2A (0.70) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8447120 0.83 KMT2A (0.70) KMT2AMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6222540 0.83 KMT2A (0.70) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27637383 0.80 KMT2A (0.57) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31281371 0.80 TSHR (0.67) MAPTNPC1RAB9AALDH1A1CYP3A4
SCHEMBL359179 0.80 TSHR (0.67) MAPTNPC1RAB9AALDH1A1CYP3A4
SCHEMBL2859245 0.78 HSD17B10 (0.69) KMT2ASMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL336771 0.78 SMN1; SMN2 (0.63) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1

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
EP-0707656-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
WO-1995002061-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1995-01-19 WO disclosed