SCHEMBL11527429

SCHEMBL11527429

CCCn1c(C)nc2cc(C(C)C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.47
RAD52 P43351 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
CYP1A2 P05177 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.40
TLR8 Q9NR97 1/20 0.40
RORA P35398 1/20 0.39

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
SCHEMBL11534871 0.88 KDM4E (0.60) KMT2AKDM4ERAD52TDP1CYP1A2
SCHEMBL18405584 0.81 CNR2 (0.47) JAK2JAK1TYK2JAK3RORA
SCHEMBL9886621 0.79 KDM4E (0.51) KMT2AKDM4ECYP1A2SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11530947 0.78 KDM4E (0.50) KMT2AKDM4ECYP1A2SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11530944 0.76 MAPT (0.49) KMT2AKDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL11370097 0.76 KMT2A (0.55) KMT2AKDM4ERAD52TDP1CHRNB2
SCHEMBL11364589 0.76 KMT2A (0.51) KMT2AKDM4ERAD52TDP1CHRNB2
SCHEMBL11535686 0.76 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL11412862 0.75 KMT2A (0.50) KMT2AKDM4ERAD52TDP1CHRNB2
Hydrochloric Acid SCHEMBL11380098 0.75 KMT2A (0.54) KMT2AKDM4ERAD52TDP1CHRNB2

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-4142886-A Substituted benzimidazole compounds and use as herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-03-06 US disclosed