SCHEMBL29948500

SCHEMBL29948500

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
P2RX1 P51575 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
POLB P06746 2/20 0.46
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
CSF1R P07333 3/20 0.45
BRAF P15056 4/20 0.45
KIT P10721 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45

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
SCHEMBL24730250 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL24730604 0.92 MEN1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL29948521 0.92 MEN1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL29948381 0.91 MEN1 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL24730176 0.91 MEN1 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL24730087 0.88 MEN1 (0.50) MEN1LMNAKMT2AMAPTMAPK1
SCHEMBL29948558 0.88 MEN1 (0.50) MEN1LMNAKMT2AMAPTMAPK1
SCHEMBL24730155 0.86 MEN1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL29948365 0.86 MEN1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL24730132 0.86 KMT2A (0.58) MEN1LMNAKMT2AMAPTMAPK1

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-4313939-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2024-02-07 EP disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed