SCHEMBL11558201

SCHEMBL11558201

CC(C)Nc1ccc(NC(=O)C2(C)CC2Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
ABL1 P00519 1/20 0.41
TSHR P16473 1/20 0.40
EPHX2 P34913 2/20 0.39
DHODH Q02127 1/20 0.39
NAMPT P43490 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FPR2 P25090 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
EPHX1 P07099 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL11564652 0.88 RXFP1 (0.47) RXFP1ABL1TSHREPHX2DHODH
SCHEMBL11557820 0.81 RXFP1 (0.42) RXFP1ABL1TSHREPHX2SMN1; SMN2
SCHEMBL11564653 0.81 GLA (0.55) ABL1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL11565138 0.78 CNR2 (0.39) TSHREPHX2NAMPTL3MBTL1FPR2
SCHEMBL11557833 0.78 EPHX1 (0.51) L3MBTL1SMN1; SMN2TP53EPHX1KMT2A
SCHEMBL11428101 0.78 EPHX2 (0.52) RXFP1EPHX2FPR2SMN1; SMN2KMT2A
SCHEMBL11566982 0.77 MAPT (0.50) ABL1TSHREPHX2SMN1; SMN2TP53
SCHEMBL11563050 0.76 RAB9A (0.57) TSHRL3MBTL1SMN1; SMN2TP53NFKB1
SCHEMBL11565438 0.75 TSHR (0.43) ABL1TSHREPHX2EPHX1KMT2A
SCHEMBL8483059 0.72 RXFP1 (0.69) RXFP1TSHRNAMPTL3MBTL1SMN1; SMN2

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-4168153-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-18 US disclosed