SCHEMBL7700289

SCHEMBL7700289

O=C(c1ccccc1)c1cn[nH]c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOD2 Q9HC29 1/20 0.46
CCNE2 O96020 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
AKR1C3 P42330 1/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
NR4A1 P22736 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL416841 0.80 ALDH1A1 (0.50) ALDH1A1GAAHTTTSHRSMN1; SMN2
SCHEMBL11201621 0.79 GAA (0.52) ALDH1A1GAAHTTTSHRSMN1; SMN2
SCHEMBL4720157 0.77
SCHEMBL11307262 0.73 ALDH1A1 (0.45) ALDH1A1GAAHTTTSHRSMN1; SMN2
SCHEMBL5700207 0.71 KMT2A (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL8693095 0.71 KMT2A (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL3707647 0.70 AKR1C3 (0.48) ALDH1A1GAAKMT2AMEN1AKR1C3
SCHEMBL5073237 0.70 ALDH1A1 (0.59) ALDH1A1GAATSHRKMT2AMEN1
SCHEMBL3709112 0.69 SMN1; SMN2 (0.67) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL29447165 0.69 AKR1C3 (0.85) ALDH1A1GAATSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP claimed
CN-88101455-A Pyrazole derivatives and herbicides containing the same 1988-09-28 CN claimed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP claimed
US-6500950-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
US-6271179-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
CN-1283191-A Benzylidene pyrazolones, preparation and use thereof BASF AG (DE) 2001-02-07 CN disclosed
EP-1044191-A2 BENZYLIDENE PYRAZOLONES, PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-10-18 EP disclosed
WO-1999026930-A2 BENZYLIDENE PYRAZOLONES AND USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1999-06-03 WO disclosed