SCHEMBL7638239

SCHEMBL7638239

Oc1ccc(-c2ccc(C3=NOC(c4ccccc4)N3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MMP3 P08254 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MAOB P27338 1/20 0.38
MIF P14174 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX7 Q99572 2/20 0.35
MECP2 P51608 1/20 0.35
MBD2 Q9UBB5 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
RPS6KA3 P51812 2/20 0.33
NTSR1 P30989 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL7313645 0.83 HSD17B10 (0.39) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL7308323 0.79 TSHR (0.37) MEN1KMT2AP2RX7
SCHEMBL15952330 0.74 CYP2A6 (0.42) P2RX7
SCHEMBL18507295 0.73 KMO (0.47) MIFRAB9A
SCHEMBL23505860 0.68 KIF11 (0.36) MEN1KMT2AMIFMAPTRAB9A
SCHEMBL5059055 0.67 NISCH (0.39) MEN1KMT2ARAB9AP2RX7
SCHEMBL23019900 0.67 ALDH1A1 (0.47) MEN1KMT2AMAOBMAPTRAB9A
SCHEMBL15951872 0.67 KMT2A (0.38) MEN1KMT2AMAOBLMNAMAPT
SCHEMBL15952152 0.66 KDM4E (0.41) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL23019907 0.65 NPC1 (0.45) MEN1KMT2AMAPTRAB9A

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
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed