SCHEMBL26465207

SCHEMBL26465207

Nc1cccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)c[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.51
BCR P11274 1/20 0.51
XDH P47989 1/20 0.44
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 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
SCHEMBL3401143 0.85 CCNT1 (0.43) XDHCCNT1CCNA2CDK2CDK9
SCHEMBL4084272 0.81 ALDH1A1 (0.60) MAPTKDM4EMEN1HPGDKMT2A
SCHEMBL26095847 0.78 SCN10A (0.50) ABL1NPC1RAB9ASCN10A
SCHEMBL1241524 0.78 ABL1 (0.54) ABL1BCRMEN1KMT2AALDH1A1
SCHEMBL30363971 0.78 ABL1 (0.54) ABL1BCRMEN1KMT2AALDH1A1
SCHEMBL26464150 0.78 ALOX5 (0.50) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL26464281 0.78 TRPV1 (0.41) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL26463821 0.77 KDM4E (0.44) MAPTKDM4EMEN1HPGDKMT2A
SCHEMBL1859703 0.77 XDH (0.47) XDHCCNT1CCNA2CDK2CDK9
SCHEMBL8108992 0.76 KDM4E (0.57) MAPTKDM4EMEN1HPGDKMT2A

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
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed