SCHEMBL9820530

SCHEMBL9820530

FC(F)Sc1nnc(-c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.55
GAA P10253 2/20 0.55
MGAM O43451 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
HSD11B1 P28845 1/20 0.37
HPGD P15428 4/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
NPC1 O15118 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 2/20 0.35
CRHR1 P34998 1/20 0.34
ESR1 P03372 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL9820532 0.78 MGAM (0.50) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL9820493 0.72 KDM4E (0.53) RAB9AALDH1A1KDM4EHPGDKMT2A
SCHEMBL29678599 0.71 ALDH1A1 (0.65) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL8045944 0.71 ALDH1A1 (0.65) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL3434993 0.71 ALDH1A1 (1.00) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL9820531 0.70 ALDH1A1 (0.46) RAB9AALDH1A1KDM4EGAAHPGD
SCHEMBL28427835 0.68 ALDH1A1 (0.45) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL10495113 0.68 BCHE (0.35) RAB9AALDH1A1GAAHPGDKMT2A
SCHEMBL9532116 0.67 KMT2A (0.50) RAB9AALDH1A1KDM4EGAAHPGD
SCHEMBL9820471 0.67 TP53 (0.41) RAB9AKDM4EKMT2ANPC1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217747-B1 NEMATOCIDAL AGENTS CIBA-GEIGY AG (CH) 1991-11-21 EP claimed
US-4694014-A 1,3,4-THIADIAZOLES CIBA-GEIGY CORPORATION (US) 1987-09-15 US claimed
EP-0217747-A2 Nematocidal agents CIBA-GEIGY AG (CH) 1987-04-08 EP claimed
EP-0217747-B1 NEMATOCIDAL AGENTS CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed
US-4694014-A 1,3,4-THIADIAZOLES CIBA-GEIGY CORPORATION (US) 1987-09-15 US disclosed
EP-0217747-A2 Nematocidal agents CIBA-GEIGY AG (CH) 1987-04-08 EP disclosed