SCHEMBL7450844

SCHEMBL7450844

CC(C)(C)c1ccc(C(=O)c2ccnc(N)c2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
UCHL1 P09936 1/20 0.39
NR4A2 P43354 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
GRIN2C Q14957 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7445014 0.85 ALDH1A1 (0.45) SRD5A2TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL6257064 0.84 SRD5A2 (0.47) SRD5A2TDP1EPHX2NPC1RAB9A
SCHEMBL19857454 0.75 NAPRT (0.57) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20520335 0.74 NAPRT (0.47) TDP1RAB9AMEN1KMT2AMAPT
SCHEMBL6257357 0.74 ATR (0.48) SRD5A2TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL8798744 0.72 NAPRT (0.44) TDP1RAB9AKMT2ANAPRT
SCHEMBL22750385 0.72 ATR (0.40) TDP1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23566361 0.72 GLRA3 (0.43) RXRARXRBKMT2ANAPRT
SCHEMBL11176158 0.72 TDP1 (0.66) SRD5A2TDP1NR1H4NPC1RAB9A
SCHEMBL29550462 0.72 TDP1 (0.66) SRD5A2TDP1NR1H4NPC1RAB9A

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-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed