SCHEMBL7307963

SCHEMBL7307963

N=C(NC(=O)c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3069331 0.89 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL3862551 0.81 MASP2 (0.46) KMT2AMEN1LMNANPC1RAB9A
Toluene SCHEMBL10507527 0.80 SMN1; SMN2 (0.53) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL22890735 0.79 MAPT (0.49) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL23918991 0.78 LMNA (0.64) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL6876467 0.77 LMNA (0.53) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL20118384 0.77 SLC1A3 (0.44) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL6994749 0.77 LMNA (0.57) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL21939284 0.76 LMNA (0.52) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL14861320 0.76 LMNA (0.52) KMT2AMEN1LMNAALDH1A1NPC1

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
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
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed