SCHEMBL20749239

SCHEMBL20749239

CCCCc1c(C)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.44
TAAR1 Q96RJ0 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
DRD3 P35462 1/20 0.38
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
AKR1B1 P15121 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL12656340 0.94 MEN1 (0.45) CFTRTAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL18567611 0.92 MEN1 (0.47) CFTRTAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL18568047 0.89 TAAR1 (0.45) CFTRTAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL11910714 0.89 TAAR1 (0.54) CFTRTAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL9240455 0.84 SKP2 (0.42) KDM4ETSHR
SCHEMBL9073051 0.83 TAAR1 (0.52) CFTRTAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL9046154 0.82 TAAR1 (0.42) TAAR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL20749154 0.82 TAAR1 (0.42) TAAR1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL8308252 0.81 MEN1 (0.51) CFTRTAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL726569 0.80 TAAR1 (0.43) TAAR1SMN1; SMN2KDM4EPOLBPKM

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
EP-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed