SCHEMBL9531241

SCHEMBL9531241

CC(Cl)C(=O)c1cccc2c1NCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
SLC13A5 Q86YT5 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC4 P56524 1/20 0.33
F2 P00734 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
AKT1 P31749 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AURKA O14965 1/20 0.31
LMNA P02545 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL3729724 0.80 SRC (0.50) SRCALDH1A1SLC13A5PRMT5WDR77
SCHEMBL1520555 0.79 SRC (0.51) SRCALDH1A1KMT2ASLC13A5PRMT5
SCHEMBL30647012 0.79 SRC (0.51) SRCALDH1A1KMT2ASLC13A5PRMT5
SCHEMBL5535285 0.77 SRC (0.50) SRCSLC13A5MAPTKDM4EADORA2A
SCHEMBL9529628 0.77 NPC1 (0.39) ALDH1A1KMT2AKDM4ENPC1
SCHEMBL3630293 0.77 SRC (0.50) SRCALDH1A1KMT2AMAPTKDM4E
SCHEMBL9410317 0.77 SRC (0.47) SRCALDH1A1SLC13A5PRMT5WDR77
SCHEMBL13618688 0.76 SRC (0.41) SRCALDH1A1KMT2ASLC13A5PRMT5
SCHEMBL749668 0.74 SRC (0.47) SRCALDH1A1KMT2ASLC13A5MAPT
SCHEMBL13903229 0.74 SRC (0.47) SRCKMT2ASLC13A5PRMT5WDR77

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-0294647-B1 THIADIAZINONES MERCK PATENT GmbH (DE) 1993-07-21 EP disclosed