SCHEMBL11822255

SCHEMBL11822255

Clc1cc(Cl)nc(N2CCSCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LGMN Q99538 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ AR P10275 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 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
SCHEMBL3451611 0.81 L3MBTL1 (0.51) POLBKMT2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL16094661 0.81 MAPT (0.57) PIK3R1PIK3CAMTORKMT2AALDH1A1
SCHEMBL1697668 0.80 CASP1 (0.48) KMT2AALDH1A1HSD17B10TSHRRAB9A
SCHEMBL7833457 0.80 CASP1 (0.44) KMT2AALDH1A1HSD17B10TSHRRAB9A
SCHEMBL15334687 0.78 SMN1; SMN2 (0.48) POLBKMT2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL11823070 0.77 PRKDC (0.38) KMT2AL3MBTL1ALDH1A1KDM4ECYP1A2
SCHEMBL11823380 0.77 PRKDC (0.38) KMT2AL3MBTL1ALDH1A1KDM4ECYP1A2
SCHEMBL11314201 0.77 ACHE (0.50) POLBKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL17673774 0.75 MAPT (0.56) PIK3R1PIK3CAMTORKMT2AL3MBTL1
SCHEMBL1617856 0.75 MAPT (0.56) PIK3R1PIK3CAMTORKMT2AL3MBTL1

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-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 — — US disclosed
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