SCHEMBL11654331

SCHEMBL11654331

O=C(SCSc1ccc(Cl)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TEAD1 P28347 1/20 0.41
YAP1 P46937 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL11657906 0.76 IDO1 (0.50) HPGDKMT2AMEN1L3MBTL1RAB9A
SCHEMBL11865348 0.71 HTT (0.51) HPGDKMT2AMEN1MITFTSHR
SCHEMBL10981879 0.71 KMT2A (0.50) HPGDKMT2AMEN1TSHRL3MBTL1
SCHEMBL11657752 0.68 IDO1 (0.56) KMT2AALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL9035361 0.65 HPGD (0.57) HPGDKMT2AMEN1MITFTSHR
SCHEMBL1286277 0.65 FFAR1 (0.65) HPGDKMT2AMEN1MITFTSHR
SCHEMBL3927340 0.65 HPGD (0.53) HPGDKMT2AMEN1MITFTSHR
SCHEMBL11664604 0.64 SMN1; SMN2 (0.53) HPGDKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL28024949 0.64 MAPT (0.47) HPGDKMT2AMEN1MITFTSHR
SCHEMBL11218295 0.63 KMT2A (0.54) HPGDKMT2AMEN1MITFTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4112116-A Certain cyclopropane thiolcarboxylates and use thereof as miticides STAUFFER CHEMICAL COMPANY (US) 1978-09-05 US claimed
US-4112116-A Certain cyclopropane thiolcarboxylates and use thereof as miticides STAUFFER CHEMICAL COMPANY (US) 1978-09-05 US disclosed