SCHEMBL18508762

SCHEMBL18508762

CCSc1cc([N+](=O)[O-])ccc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
KMT2A Q03164 3/20 0.67
CYP3A4 P08684 2/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
PKM P14618 2/20 0.47
RAB9A P51151 2/20 0.46
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 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
SCHEMBL30309481 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2ACYP3A4POLB
SCHEMBL10967259 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2ACYP3A4POLB
SCHEMBL3955084 0.78 KMT2A (0.61) ALDH1A1SMN1; SMN2KMT2ACYP3A4POLB
SCHEMBL28168037 0.78 HTT (0.57) ALDH1A1SMN1; SMN2KMT2ACYP3A4POLB
SCHEMBL8013890 0.76 KDM4E (0.47) ALDH1A1SMN1; SMN2KMT2ACYP3A4POLB
SCHEMBL22164001 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL6398309 0.76 KMT2A (0.71) ALDH1A1SMN1; SMN2KMT2ACYP3A4POLB
SCHEMBL8780951 0.75 GPR35 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6272138 0.75 KMT2A (0.56) ALDH1A1SMN1; SMN2KMT2ACYP3A4POLB
SCHEMBL1094136 0.74 KMT2A (0.65) ALDH1A1SMN1; SMN2KMT2ACYP3A4POLB

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
WO-2017026384-A1 IMIDAZOLE COMPOUND OR SALTS THEREOF, AND AGRICULTURAL AND HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND METHOD FOR USING SAME 日本農薬株式会社 2017-02-16 WO disclosed