SCHEMBL18570204

SCHEMBL18570204

Cc1cc(C)cc(N2CC(C)CC2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.61
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA6 P23280 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
SCHEMBL30157476 0.90 RECQL (0.51) RECQLAPOBEC3AAPOBEC3GTSHRTHRB
SCHEMBL26723886 0.85 RECQL (0.47) RECQLAPOBEC3AAPOBEC3GTSHRTHRB
SCHEMBL30157390 0.81 SLC6A2 (0.42) RECQLTSHRKMT2ACA12CA1
SCHEMBL30157878 0.80 RECQL (0.41) RECQLTSHRTP53KMT2ACA12
SCHEMBL6270407 0.76 RECQL (1.00) RECQLTSHRMAPTKMT2AMAPK1
SCHEMBL6271734 0.76 RECQL (0.59) RECQLAPOBEC3AAPOBEC3GTSHRTHRB
SCHEMBL19998591 0.76 POLB (0.57) TSHRMAPTKMT2ASMN1; SMN2
SCHEMBL435086 0.76 POLB (0.57) TSHRMAPTKMT2ASMN1; SMN2
SCHEMBL20040955 0.75 NR2E1 (0.42) RECQLTSHRTP53MAPTKMT2A
SCHEMBL12235705 0.73 RXFP1 (0.52) RECQLTSHRMAPTKMT2AMAPK1

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-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed