1-Hexanol

1-Hexanol

SCHEMBL9689224

CCCCCCO.c1ccc(-c2nc(-c3ccccn3)nc(N3CCNCC3)n2)nc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.48
▸ TYRO3 Q06418 3/20 0.48
▸ MERTK Q12866 3/20 0.48
▸ GAS6 Q14393 3/20 0.48
▸ HTR7 P34969 2/20 0.44
▸ HTR1A P08908 1/20 0.42
▸ METAP1 P53582 1/20 0.41
▸ ESRRG P62508 4/20 0.41
▸ ESRRB O95718 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KHK P50053 1/20 0.41
▸ PLD1 Q13393 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CETP P11597 1/20 0.40
▸ AXL P30530 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
SCHEMBL9069333 0.84 HTR7 (0.59) HTR7HTR1AMETAP1KDM4ETDP1
SCHEMBL9689199 0.75 SMN1; SMN2 (0.42) HTR1AMETAP1KDM4ETDP1ALDH1A1
1-Hexanol SCHEMBL9688181 0.73 CASP1 (0.66) KDM4ETDP1ALDH1A1CETPSMN1; SMN2
1-Hexanol SCHEMBL9690248 0.72 CASP1 (0.64) KDM4ETDP1ALDH1A1CETPSMN1; SMN2
Dipyridyl SCHEMBL28980115 0.69 KDM4E (0.56) FLT3TYRO3MERTKGAS6METAP1
SCHEMBL9226047 0.69 TDP1 (0.60) METAP1KDM4ETDP1ALDH1A1CYP1A2
SCHEMBL9069327 0.69 PLD1 (0.58) HTR7HTR1AKDM4ETDP1PLD1
Dipyridyl SCHEMBL28135789 0.68 KDM4E (0.64) METAP1KDM4ETDP1ALDH1A1CYP1A2
SCHEMBL10974393 0.66 KMT2A (0.60) HTR7HTR1AKDM4ETDP1PLD1
SCHEMBL9073239 0.66 HTR7 (0.54) FLT3TYRO3MERTKGAS6HTR7

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-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 — — US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 — — EP disclosed
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