SCHEMBL9505425

SCHEMBL9505425

O=C(Cl)COc1c(Cl)cccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
AKR1B1 P15121 1/20 0.41
CD69 Q07108 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 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
SCHEMBL16005822 0.87 KMT2A (0.56) KMT2APTPN7PTPN12PTPN22ALDH1A1
SCHEMBL7172967 0.85 KMT2A (0.74) KMT2APTPN7PTPN12PTPN22ALDH1A1
SCHEMBL3729436 0.83 KMT2A (1.00) KMT2APTPN7PTPN12PTPN22ALDH1A1
SCHEMBL22307856 0.82 KMT2A (0.69) KMT2APTPN7PTPN12PTPN22ALDH1A1
SCHEMBL7892180 0.79 ALDH1A1 (0.47) KMT2AALDH1A1POLBGAAMAPT
SCHEMBL4362921 0.79 KMT2A (0.46) KMT2AALDH1A1POLBCD69RAB9A
SCHEMBL9722695 0.79 MRGPRX4 (0.51) KMT2AALDH1A1POLBGAAMAPT
SCHEMBL5109846 0.79 KMT2A (0.65) KMT2APTPN7PTPN12PTPN22ALDH1A1
SCHEMBL2058983 0.78 KMT2A (0.54) KMT2AALDH1A1POLBMAPTRAB9A
SCHEMBL9722723 0.78 KMT2A (0.44) KMT2AALDH1A1CD69RAB9ANPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321968-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
US-5151414-A Hypotensive agents SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1992-09-29 US disclosed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed
US-5070106-A HYPOTENSIVES, CEREBRAL DISORDERS SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-03 US disclosed
EP-0195201-B1 PROCESS FOR THE PREPARATION OF N-ACYL-2,3-DEHYDRO CARBOXYLIC ESTERS Degussa Aktiengesellschaft (DE) 1990-05-23 EP disclosed
EP-0321968-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed
EP-0195201-A2 Process for the preparation of N-acyl-2,3-dehydro carboxylic esters Degussa Aktiengesellschaft (DE) 1986-09-24 EP disclosed