SCHEMBL8103460

SCHEMBL8103460

O=C(Cl)Oc1ccc(Br)cc1.O=C(Cl)Oc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
LDHA P00338 1/20 0.40
EPHX2 P34913 1/20 0.40
CHRNA7 P36544 1/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DRD1 P21728 1/20 0.39
PTGER2 P43116 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
STAT1 P42224 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 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
SCHEMBL696908 0.90 KMT2A (0.44) KMT2AMEN1ATMSMN1; SMN2CYP1A2
SCHEMBL1268683 0.90 LDHA (0.47) MAPTKMT2AMEN1RAB9ALDHA
SCHEMBL532894 0.79 NPC1 (0.57) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL533375 0.79 NPC1 (0.57) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL6924446 0.78 RAB9A (0.46) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL57245 0.72 KMT2A (0.50) KMT2AMEN1RAB9AATMSMN1; SMN2
SCHEMBL57101 0.72 MEN1 (0.50) MAPTKMT2AMEN1RAB9ALDHA
SCHEMBL6565732 0.72 HSD17B10 (0.47) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL805908 0.72 MAPT (0.58) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6564201 0.72 ELANE (0.52) MAPTKMT2AMEN1RAB9ASMN1; SMN2

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-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed