SCHEMBL17845762

SCHEMBL17845762

Fc1ccc(NC2CCO[C]2Cl)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
P2RX7 Q99572 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL17845386 0.86 ROCK2 (0.36) P2RX7
SCHEMBL17845569 0.80 GAA (0.38) LMNAKMT2AP2RX7TAS1R3TAS1R1
SCHEMBL17845530 0.79 GAA (0.41) EPHX2KMT2AALDH1A1P2RX7TAS1R3
SCHEMBL17845712 0.79 KMT2A (0.33) KMT2A
SCHEMBL17845706 0.76 RAB9A (0.40) LMNAKMT2AALDH1A1P2RX7
SCHEMBL17845595 0.72 DDB1 (0.43) LMNAP2RX7
SCHEMBL17845726 0.72 KMT2A (0.40) KMT2AALDH1A1P2RX7TAS1R3TAS1R1
SCHEMBL17845534 0.71 POLB (0.42) LMNAKMT2AALDH1A1
SCHEMBL9847935 0.70 EPHX2 (0.49) EPHX2LMNAALDH1A1TAS1R3TAS1R1
SCHEMBL17845720 0.70 NPC1 (0.34) LMNAKMT2AALDH1A1P2RX7

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-3233860-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS Univerzita Palackého V Olomouci (CZ) 2017-10-25 EP disclosed
WO-2016095881-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-23 WO disclosed