SCHEMBL27340657

SCHEMBL27340657

CCC(Br)C(=O)NCCC#N

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
MCL1 Q07820 2/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.30

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
SCHEMBL7615942 0.80 MAPT (0.34) MAPTHSD17B10
SCHEMBL7615947 0.80 MAPT (0.34) MAPTHSD17B10
SCHEMBL7615945 0.80 MAPT (0.34) MAPTHSD17B10
SCHEMBL10033567 0.79 TSHR (0.42) TSHRUSP2MCL1MAPTCTSS
SCHEMBL14521485 0.76 KMT2A (0.41) TSHRUSP2MCL1KMT2AMAPT
SCHEMBL27787604 0.75 USP2 (0.45) TSHRUSP2KMT2AMAPTALDH1A1
SCHEMBL1772263 0.73
SCHEMBL2563763 0.73 ALDH1A1 (0.38) TSHRUSP2MCL1KMT2AMAPT
SCHEMBL11126550 0.73 USP2 (0.56) TSHRUSP2KMT2AMAPTALDH1A1
SCHEMBL8212374 0.72 GNAI3 (0.46) TSHRUSP2KMT2AALDH1A1

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
CN-1046524-C Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1999-11-17 CN disclosed
CN-1105365-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1995-07-19 CN disclosed