SCHEMBL9524407

SCHEMBL9524407

CC(COC(=O)Nc1cccc2ccccc12)NC(=O)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
MITF O75030 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
CSF1R P07333 1/20 0.40

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
SCHEMBL9525576 0.95 TSHR (0.45) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL9525216 0.93 MAPT (0.43) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL9524189 0.92 MEN1 (0.49) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL9525343 0.92 ALDH1A1 (0.44) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL9526042 0.88 TRPV1 (0.47) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL9525302 0.88 TRPV1 (0.47) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL10581336 0.85 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9524118 0.84 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9524021 0.83 MEN1 (0.44) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL9525482 0.82 MEN1 (0.55) MAPK1MAPTALDH1A1MEN1KMT2A

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
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed