SCHEMBL25629008

SCHEMBL25629008

O=C(C1CCOC1)N1CCN(S)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.43
CNR2 P34972 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 5/20 0.41
GPR183 P32249 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13013114 0.83 HPGD (0.57) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL21584689 0.82 HTT (0.54) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL25629645 0.82 HTT (0.54) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL12518835 0.81 HPGD (0.61) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL2678757 0.79 CNR2 (0.49) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL26159917 0.79 HTT (0.60) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL25290995 0.79 NAMPT (0.44) NAMPTCNR2EPHX2GPR183KCNH2
SCHEMBL12385902 0.79 KMT2A (0.46) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL20582793 0.79 CHRNB2 (0.63) NAMPTCNR2TSHRALDH1A1EPHX2
SCHEMBL3548644 0.79 CNR2 (0.43) NAMPTCNR2TSHRALDH1A1EPHX2

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-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed