SCHEMBL9775575

SCHEMBL9775575

C=CCNC(=O)/C(C)=C/c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL9775577 1.00 MAPT (0.46) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9775570 0.81 HPGD (0.46) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9775567 0.81 HPGD (0.46) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9551016 0.78 MAPT (0.56) MAPTALDH1A1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL9384129 0.78 MAPT (0.56) MAPTALDH1A1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL9307151 0.77 MAPT (0.52) MAPTRAB9ACYP1A2KMT2AMEN1
SCHEMBL9307154 0.77 MAPT (0.52) MAPTRAB9ACYP1A2KMT2AMEN1
SCHEMBL9328885 0.75 MAPT (0.52) MAPTALDH1A1RAB9ASMN1; SMN2CYP3A4
SCHEMBL9328889 0.75 MAPT (0.52) MAPTALDH1A1RAB9ASMN1; SMN2CYP3A4
SCHEMBL9399639 0.74 GLO1 (0.57) MAPTALDH1A1CYP1A2KMT2AMEN1

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-5009701-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed