SCHEMBL22289829

SCHEMBL22289829

CC(c1cccs1)c1nc(N)nc(N)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ DHFR P00374 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HEXA P06865 1/20 0.32
▸ HEXB P07686 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL28250902 0.77 KMT2A (0.36) KMT2ADHFRKDM4EGAACCNE2
SCHEMBL22290011 0.69 DHFR (0.33) DHFR
SCHEMBL29490052 0.68 DCPS (0.44) DHFRADORA2A
SCHEMBL2030838 0.66 ALOX5 (0.47) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL22289828 0.66 TAAR1 (0.40) DHFRKDM4EALDH1A1LMNAGLA
SCHEMBL1309059 0.62 — —
SCHEMBL12310754 0.62 ALOX5 (0.41) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL16746829 0.61 ALOX5 (0.36) MEN1KMT2AKDM4EALDH1A1CCNE2
SCHEMBL3563625 0.60 HSP90AA1 (0.41) DHFRKDM4EALDH1A1LMNAHPGD
SCHEMBL12260273 0.59 ALOX5 (0.39) MEN1KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917914-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORPORATION (US) 2021-12-08 — — EP claimed
WO-2020160202-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORPORATION (US) 2020-08-06 — — WO claimed
EP-3917914-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORPORATION (US) 2021-12-08 — — EP disclosed
WO-2020160202-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORPORATION (US) 2020-08-06 — — WO disclosed
Send feedback