SCHEMBL8240081

SCHEMBL8240081

CSc1ccc(N)cc1C(=O)CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ THRB P10828 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ RECQL P46063 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ TNF P01375 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
SCHEMBL13631349 0.83 MAPT (0.38) KMT2AKDM4EMAPTTDP1MEN1
SCHEMBL8592870 0.80 KDM4E (0.55) KMT2AKDM4EMAPTTDP1MEN1
SCHEMBL19445594 0.80 KDM4E (0.45) KMT2AKDM4EMAPTTDP1MEN1
Hydrochloric Acid SCHEMBL7500560 0.80 LMNA (0.40) KMT2AMAPTMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7497463 0.80 ADRA1D (0.47) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL8240087 0.76 MAPT (0.47) KMT2AMAPTTDP1MEN1THRB
SCHEMBL14418224 0.76 ALOX5 (0.41) KMT2AKDM4EMAPTTDP1MEN1
SCHEMBL6999569 0.76 GAA (0.57) KDM4EMAPTTDP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7497852 0.75 KMT2A (0.49) KMT2AMAPTTDP1MEN1ALDH1A1
SCHEMBL11509832 0.73 ALDH1A1 (0.55) KMT2AKDM4EMAPTTDP1MEN1

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
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 — — WO disclosed
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