SCHEMBL11580967

SCHEMBL11580967

CCCCCCN(CCCCCC)CCCCCCN(C)C

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.83
TSHR P16473 2/20 0.61
ALDH1A1 P00352 1/20 0.61
THRB P10828 1/20 0.44
KDM5A P29375 2/20 0.40
PHF8 Q9UPP1 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
KCNH2 Q12809 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL10524984 1.00 DNM1 (0.83) DNM1TSHRALDH1A1THRBKDM5A
SCHEMBL22421644 1.00 DNM1 (0.83) DNM1TSHRALDH1A1THRBKDM5A
SCHEMBL24508283 0.97 DNM1 (0.79) DNM1TSHRALDH1A1THRBKDM5A
Hydrochloric Acid SCHEMBL10492553 0.97 DNM1 (0.84) DNM1TSHRALDH1A1THRBKDM5A
SCHEMBL20590749 0.97 DNM1 (0.79) DNM1TSHRALDH1A1THRBKDM5A
SCHEMBL11209342 0.97 DNM1 (0.79) DNM1TSHRALDH1A1THRBKDM5A
Hydrochloric Acid SCHEMBL29286814 0.95 DNM1 (0.80) DNM1TSHRALDH1A1THRBKDM5A
SCHEMBL11509660 0.94 DNM1 (0.74) DNM1TSHRALDH1A1THRBKDM5A
SCHEMBL14492143 0.93 DNM1 (0.71) DNM1TSHRALDH1A1THRBKDM5A
SCHEMBL796515 0.93 DNM1 (0.71) DNM1TSHRALDH1A1THRBKDM5A

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-4070401-A HYDROGENATION, DEHALOGENATION INHIBITOR MITSUI TOATSU CHEMICALS INC. (JA) 1978-01-24 US claimed