SCHEMBL9859159

SCHEMBL9859159

O=C(CC(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.47
EPHX2 P34913 4/20 0.45
RAF1 P04049 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
HSD11B1 P28845 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEP1B Q16820 1/20 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
SCHEMBL9858945 0.80 HSD11B1 (0.45) KMT2AEPHX2RAF1TSHRHSD11B1
SCHEMBL19134194 0.78 KMT2A (0.60) KMT2ANPC1RAB9AALDH1A1
SCHEMBL31757108 0.74 KDR (0.68) KMT2AEPHX2RAF1NPC1RAB9A
SCHEMBL20702662 0.74 KDR (0.50) KMT2AHSD11B1MAPTALDH1A1MEP1B
SCHEMBL21776928 0.74 KDR (0.48) KMT2ARAB9APOLBL3MBTL1MAPT
SCHEMBL16082974 0.73 ATF4 (0.61) KMT2AEPHX2RAF1NPC1RAB9A
SCHEMBL20702651 0.73 NPFFR2 (0.50) KMT2AEPHX2HSD11B1MAPTALDH1A1
SCHEMBL30991460 0.73 NPFFR2 (0.50) KMT2AEPHX2HSD11B1MAPTALDH1A1
SCHEMBL1726226 0.73 GSK3B (0.54) KMT2AHSD11B1MAPTALDH1A1MEP1B
SCHEMBL30298640 0.73 GSK3B (0.54) KMT2AHSD11B1MAPTALDH1A1MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 EP disclosed