SCHEMBL7445014

SCHEMBL7445014

COC(=O)c1c(C(=O)c2ccc(C(C)(C)C)cc2)ccnc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
F2 P00734 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A2 P31213 1/20 0.41
FGFR2 P21802 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MAPT P10636 4/20 0.40
TNF P01375 1/20 0.39
KLF5 Q13887 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7450844 0.85 SRD5A2 (0.51) KMT2ASRD5A2FGFR2MAPTTDP1
SCHEMBL6257064 0.81 SRD5A2 (0.47) KMT2ASRD5A2FGFR2MAPTTNF
SCHEMBL21749959 0.79 KDM4E (0.53) ALDH1A1LMNAGAACA1CA2
SCHEMBL27727269 0.77 ATR (0.51) ALDH1A1LMNAGAAKMT2ACA1
SCHEMBL6255305 0.76 MAPT (0.52) ALDH1A1LMNAF2KMT2AFGFR2
SCHEMBL28947701 0.76 NAPRT (0.47) ALDH1A1LMNAGAAKMT2ACA1
SCHEMBL6257357 0.76 ATR (0.48) F2KMT2ASRD5A2FGFR2MAPT
SCHEMBL7437658 0.74 ALDH1A1 (0.50) ALDH1A1LMNAGAAF2KMT2A
Ammonia Solution, Strong SCHEMBL7084475 0.72 ALDH1A1 (0.51) ALDH1A1LMNAGAASRD5A2CA1
SCHEMBL6172186 0.72 ALDH1A1 (0.48) ALDH1A1LMNAGAAF2KMT2A

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