SCHEMBL9820532

SCHEMBL9820532

FC(F)Sc1nnc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
NOTUM Q6P988 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
TERT O14746 1/20 0.38
RAB9A P51151 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL9820471 0.85 TP53 (0.41) KDM4EMEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL9820562 0.81 HDAC1 (0.40) NOTUMKDM4EMEN1KMT2APOLB
SCHEMBL9532116 0.81 KMT2A (0.50) GAAKDM4EMEN1KMT2APOLB
SCHEMBL9820477 0.80 MAPT (0.54) KDM4EKMT2ALMNAPOLBRXFP1
SCHEMBL9820530 0.78 RAB9A (0.55) MGAMGAASIMGAM2KDM4E
SCHEMBL10462996 0.75 MGAM (0.49) MGAMGAASIMGAM2NOTUM
SCHEMBL10409512 0.73 SMN1; SMN2 (0.54) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL8707903 0.72 KDM4E (0.67) MGAMGAASIMGAM2NOTUM
SCHEMBL9664681 0.71 ALDH1A1 (0.39) KMT2AALDH1A1
SCHEMBL9820493 0.70 KDM4E (0.53) NOTUMKDM4EMEN1KMT2APOLB

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