SCHEMBL10994631

SCHEMBL10994631

Clc1ccc(NCC2CCCOC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.49
▸ CDK9 P50750 2/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DRD4 P21917 1/20 0.42
▸ SCN5A Q14524 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ CCR2 P41597 3/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL1565984 0.83 MEN1 (0.45) MEN1LMNAKMT2ASMN1; SMN2CCR2
SCHEMBL22699596 0.77 EPHX1 (0.45) CCNT1CDK9LMNASMN1; SMN2DRD4
SCHEMBL22680868 0.74 CNR2 (0.41) CCNT1CDK9LMNACLK1CLK2
SCHEMBL22023318 0.74 CCNT1 (0.45) CCNT1CDK9DRD4SCN5ASCN9A
SCHEMBL12501838 0.73 CCNT1 (0.49) CCNT1CDK9DRD4SCN5ASCN9A
SCHEMBL11935245 0.73 PRMT5 (0.39) CCNT1CDK9MEN1LMNAKMT2A
SCHEMBL13438929 0.73 PRMT5 (0.39) CCNT1CDK9MEN1LMNAKMT2A
SCHEMBL1241022 0.70 SOS1 (0.54) MEN1LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9388001 0.70 CCNT1 (0.39) CCNT1CDK9SCN5ASCN9ACLK1
SCHEMBL6504362 0.69 HTT (0.51) MEN1LMNAKMT2ASMN1; SMN2

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-4544398-A POSTEMERGENCE STAUFFER CHEMICAL COMPANY (US) 1985-10-01 — — US disclosed
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