SCHEMBL23571663

SCHEMBL23571663

Cc1cn2cc(Br)cc(N3CCCC3=O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CRHR1 P34998 1/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 2/20 0.32
AKR1C3 P42330 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23534532 0.81 RXFP1 (0.53) HSD17B10L3MBTL1MEN1KMT2ATSHR
SCHEMBL23534425 0.80 RXFP1 (0.41) HSD17B10MEN1KMT2ARXFP1CYP3A4
SCHEMBL23534436 0.80 RXFP1 (0.41) HSD17B10KMT2ARXFP1ADORA2APKM
SCHEMBL31210519 0.71 RXFP1 (0.38) L3MBTL1TSHRRXFP1CYP3A4CYP2C9
SCHEMBL25341208 0.71 PIK3R1 (0.46) HSD17B10MEN1KMT2ATSHRKDM4E
SCHEMBL31695060 0.70 HSD17B10 (0.58) HSD17B10L3MBTL1MEN1KMT2ATSHR
SCHEMBL26926119 0.70 HSD17B10 (0.58) HSD17B10L3MBTL1MEN1KMT2ATSHR
SCHEMBL4891536 0.69 RXFP1 (0.41) HSD17B10L3MBTL1MEN1KMT2ATSHR
SCHEMBL31211289 0.68 CYP3A4 (0.39) L3MBTL1TSHRRXFP1LMNAPDE10A
SCHEMBL23571661 0.68 RXFP1 (0.60) L3MBTL1TSHRRXFP1NPC1KDM4E

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
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed