SCHEMBL5644455

SCHEMBL5644455

O=C(NCc1c(F)cc(F)cc1F)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
STING1 Q86WV6 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MT-CO2 P00403 1/20 0.45
PPARG P37231 1/20 0.45
MAPT P10636 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL5645352 0.88 HPGD (0.55) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL6357738 0.84 ATM (0.56) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL5645795 0.83 KCNA5 (0.55) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL5645103 0.82 HPGD (0.62) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL5645008 0.81 HPGD (0.57) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL6362508 0.80 HPGD (0.50) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL15686619 0.79 KMT2A (0.70) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL5644578 0.78 GAA (0.52) HPGDALDH1A1NPC1RAB9AKMT2A
SCHEMBL6357659 0.78 TP53 (0.56) HPGDALDH1A1CYP1A2KMT2A
SCHEMBL6358887 0.76 HPGD (0.55) HPGDALDH1A1CYP1A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed