SCHEMBL18036364

SCHEMBL18036364

Cc1ccc(-c2cc(OC(=O)NC(C)(C)CO)cc(-n3cnnn3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.41
PTK2 Q05397 1/20 0.39
MAPT P10636 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NOTUM Q6P988 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10243044 0.85 TSHR (0.47) KMT2ATSHRPTK2CNR1CNR2
SCHEMBL18036403 0.82 KMT2A (0.46) KMT2ATSHRMAPTNOTUMTP53
SCHEMBL18036428 0.80 KMT2A (0.44) KMT2ATSHRMAPTCNR1NOTUM
SCHEMBL18036430 0.80 KMT2A (0.44) KMT2ATSHRMAPTNOTUMTP53
SCHEMBL18036333 0.80 P2RX3 (0.47) KMT2APTK2MAPTCNR1CNR2
SCHEMBL18036361 0.80 KMT2A (0.44) KMT2ATSHRMAPTNOTUMTP53
SCHEMBL18036460 0.79 KMT2A (0.45) KMT2A
SCHEMBL18036357 0.79 KMT2A (0.41) KMT2ATSHRPTK2MAPTTP53
SCHEMBL18036362 0.78 KMT2A (0.44) KMT2ATSHRMAPTLMNAPOLB
SCHEMBL18036383 0.77 KMT2A (0.43) KMT2ATSHRMAPTPKM

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-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP claimed