SCHEMBL8192545

SCHEMBL8192545

O=C(c1ccccc1Cl)c1c[nH]nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORB Q92753 6/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
RORC P51449 1/20 0.41
POLB P06746 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BTK Q06187 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL7729548 0.89 KDM4E (0.50) ALDH1A1KMT2AKDM4ELMNAPOLB
SCHEMBL8189644 0.84 CDC25B (0.49) ALDH1A1KMT2AKDM4ELMNAPOLB
SCHEMBL8189911 0.79 SMN1; SMN2 (0.55) ALDH1A1KMT2AKDM4ELMNAPOLB
SCHEMBL415485 0.79 KDM4E (0.55) ALDH1A1KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL7666259 0.76 KDM4E (0.47) ALDH1A1KMT2AKDM4ELMNASMN1; SMN2
Ethylene SCHEMBL27448159 0.76 KDM4E (0.51) ALDH1A1KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL11957361 0.76 SMN1; SMN2 (0.49) ALDH1A1KDM4ELMNASMN1; SMN2ALOX15
SCHEMBL17224661 0.75 CCNB2 (0.42) RORBALDH1A1KMT2ACES2CES1
SCHEMBL8182394 0.74 RORB (0.46) RORBALDH1A1KMT2APOLBALOX15
SCHEMBL50416 0.74 CES2 (0.71) RORBALDH1A1KMT2ARECQLCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030926-A AS HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
US-5939559-A HERBICIDES FROM PYRAZOLE KETONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-17 US disclosed
EP-0822187-A1 PYRAZOLE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-02-04 EP disclosed