Allylamine

Allylamine

SCHEMBL11664738

C=CCN.C=CCNC(=S)S

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.34

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
Hydrazine SCHEMBL11456073 0.90
SCHEMBL36968 0.90
Ammonia Solution, Strong SCHEMBL10336278 0.87
SCHEMBL29147913 0.87
SCHEMBL9066483 0.87 ALDH1A1 (0.56) ALDH1A1TSHRCYP2C9HPGDALOX15
Methane SCHEMBL27523045 0.87
Allylamine SCHEMBL11659396 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL11665716 0.76 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C9HPGDHSD17B10
SCHEMBL8601008 0.75
SCHEMBL7155759 0.73

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-4129656-A Thiazolidine derivatives, salidiuretic compositions and methods of effecting salidiuresis employing them HOECHST AKTIENGESELLSCHAFT (DE) 1978-12-12 US disclosed