SCHEMBL29948381

SCHEMBL29948381

O=C(Nc1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 4/20 0.51
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
PPARA Q07869 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL24730176 1.00 MEN1 (0.51) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL24730604 0.93 MEN1 (0.45) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL29948521 0.93 MEN1 (0.45) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL29948519 0.91 HDAC1 (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL24730232 0.91 HDAC1 (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL24730250 0.91 CYP1A2 (0.47) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL29948500 0.91 CYP1A2 (0.47) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL24730195 0.90 MEN1 (0.56) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL29948482 0.90 MEN1 (0.56) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL24730151 0.89 KCNQ3 (0.46) MEN1KMT2ALMNACYP3A4CYP2C19

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