SCHEMBL7512356

SCHEMBL7512356

N#Cc1c(Br)c(C(F)(F)F)n(CNC(=O)c2ccccc2)c1-c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SENP1 Q9P0U3 1/20 0.35
EPHX2 P34913 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7503376 0.92 DRD2 (0.40) HPGDMEN1KMT2ADRD2DRD4
SCHEMBL9208543 0.78 CACNA1H (0.36) SMN1; SMN2MEN1KMT2ATP53ALDH1A1
SCHEMBL7504784 0.77 MAPT (0.35) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL9055167 0.75 ALDH1A1 (0.32) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL9017343 0.74 KMT2A (0.44) SMN1; SMN2HPGDMEN1KMT2ATP53
SCHEMBL7509428 0.74 DRD2 (0.47) SMN1; SMN2HPGDDRD2DRD4ALDH1A1
SCHEMBL9017309 0.69 KMT2A (0.49) SMN1; SMN2HPGDMEN1KMT2ATP53
SCHEMBL9423613 0.69 CNR2 (0.35) HPGDKMT2AALDH1A1GAAKDM4E
SCHEMBL9037286 0.68 MMP2 (0.38) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL7499361 0.67 KDM4E (0.37) SMN1; SMN2HPGDMEN1KMT2AALDH1A1

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
EP-0530515-B1 Process for the preparation of N-halomethylpyrrole and intermediates BASF AG (DE) 2002-11-06 EP disclosed
EP-0530515-A1 N-Alkanoylaminomethyl and N-Aroylaminomethyl pyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed
US-5130328-A Lima bean leaves AMERICAN CYANAMID COMPANY (US) 1992-07-14 US disclosed