SCHEMBL457030

SCHEMBL457030

C=CCCCCCCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.61
NAAA Q02083 1/20 0.51
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALOX15 P16050 1/20 0.43
CHRM2 P08172 1/20 0.42
CYP2D6 P10635 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC4 P56524 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
SCHEMBL21052634 1.00 HRH1 (0.61) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL2903487 0.98 HRH1 (0.58) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL154864 0.93 HRH1 (0.55) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL29742236 0.85 SMN1; SMN2 (0.54) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL2508761 0.85 HRH1 (0.55) HRH1CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4418086 0.84 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL659243 0.84 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL2843489 0.84 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL31040594 0.84 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; SMN2
SCHEMBL11734076 0.84 HRH1 (0.80) HRH1NAAACYP1A2CYP2C19SMN1; 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
WO-2012033800-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY (US) 2012-03-15 WO disclosed