SCHEMBL8886353

SCHEMBL8886353

Clc1ccccc1-c1n[nH]cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
DCUN1D1 Q96GG9 2/20 0.44
LDHA P00338 1/20 0.44
HTR7 P34969 2/20 0.42
CYP2A6 P11509 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALPL P05186 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL31310138 0.86 IDO1 (0.44) IDO1DCUN1D1LDHAHTR7CYP2A6
SCHEMBL8755319 0.84 IDO1 (0.47) IDO1DCUN1D1LDHANOTUMCYP2D6
SCHEMBL6846876 0.84 KMT2A (0.44) IDO1DCUN1D1LDHAHTR7CYP2A6
SCHEMBL8883443 0.82 IDO1 (0.42) IDO1DCUN1D1LDHAHTR7CYP2A6
SCHEMBL15182935 0.78 IDO1 (0.39) IDO1DCUN1D1LDHAHTR7CYP2A6
SCHEMBL8884581 0.78 LRRK2 (0.47) IDO1DCUN1D1LDHAHTR7NPC1
SCHEMBL11624756 0.78 HSP90AA1 (0.45) IDO1DCUN1D1LDHAHTR7HPGD
SCHEMBL11624006 0.78 KDM5B (0.39) IDO1DCUN1D1LDHAHTR7CYP2A6
SCHEMBL27748966 0.77 ALPL (0.48) TP53HPGDNOTUMALDH1A1ALPL
SCHEMBL5446421 0.77 MAPK13 (0.47) IDO1DCUN1D1LDHAHTR7CYP2A6

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
US-5663119-A FOR USE IN AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-09-02 US disclosed
US-5523280-A TREATING PLANT DISEASES RHONE-POULENC AGROCHIMIE (FR) 1996-06-04 US disclosed