SCHEMBL7601779

SCHEMBL7601779

CON(C(=O)C(C)(Br)Br)c1ccccc1CBr

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
RIPK1 Q13546 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL3567302 0.83 CES2 (0.36) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1461137 0.81 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7601778 0.80 TP53 (0.35) CYP2C19CYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL7602423 0.79 KDM4E (0.33) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL11386037 0.75 LMNA (0.33) CYP2C19CYP1A2CYP2D6RIPK1ALDH1A1
SCHEMBL9714755 0.75 RIPK1 (0.37) RIPK1ALDH1A1LMNAKMT2A
SCHEMBL8636800 0.72 ALDH1A1 (0.34) CYP2C19CYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL11436957 0.71 PTPN1 (0.38) CYP2C19CYP1A2ALDH1A1MEN1CYP3A4
SCHEMBL28593004 0.70 KDM4E (0.38) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL9049204 0.69 POLQ (0.39) CYP2C19RIPK1ALDH1A1SMN1; SMN2KDM4E

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-0624155-B2 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AG (DE) 2002-12-11 EP disclosed
US-6075148-A CARBAMATE DERIVATIVES ARE USEFUL FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
US-5981532-A FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0624155-B1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AG (DE) 1998-05-06 EP disclosed