SCHEMBL27477298

SCHEMBL27477298

O=C(I)CCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 1/20 0.56
HRH1 P35367 2/20 0.52
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PTPRA P18433 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6446039 0.82 CYP1A2 (0.57) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL29499090 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL333243 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL28672925 0.81 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL4174816 0.81 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL5493166 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL403460 0.81 CYP1A2 (0.56) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Lithium Ion SCHEMBL28463950 0.81 CYP1A2 (0.56) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL2722250 0.81 ALDH1A1 (0.57) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL626826 0.81 HRH1 (0.57) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1

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-2024130217-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed