SCHEMBL9505657

SCHEMBL9505657

COCc1cc(C)nc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
PLA2G1B P04054 1/20 0.46
HTT P42858 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
SLC2A1 P11166 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL9505703 0.85 TAAR1 (0.54) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL2205815 0.81 MAPT (0.43) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL12430948 0.78 AURKA (0.58)
SCHEMBL9762921 0.78 NPC1 (0.55) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL3718787 0.77 NPC1 (0.53) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL17975328 0.75 RAB9A (0.55) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL13086645 0.73 PDE4B (0.45) MEN1KMT2AKDM4EMAPTCYP1A2
SCHEMBL8987508 0.71 MEN1 (0.42) POLBMEN1KMT2AKDM4EHPGD
SCHEMBL3300314 0.71 RAB9A (0.49) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL13547969 0.71 KCNH3 (0.50) RAB9ANPC1MEN1KMT2AKDM4E

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-0295210-B1 MICROBICIDES CIBA-GEIGY AG (CH) 1993-08-04 EP disclosed
US-4897396-A AGRICULTURAL INSECTICIDES, PESTICIDES AND FUNGICIDES CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed
EP-0295210-A1 Microbicides CIBA-GEIGY AG (CH) 1988-12-14 EP disclosed