SCHEMBL5645008

SCHEMBL5645008

O=C(NCc1c(Cl)cc(Cl)cc1Cl)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 2/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CYP2C19 P33261 1/20 0.49
GRIN1 Q05586 1/20 0.48
P2RX7 Q99572 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL5645103 0.88 HPGD (0.62) HPGDALDH1A1CYP1A2POLBNPC1
SCHEMBL6357794 0.83 TSHR (0.64) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL5644455 0.81 HPGD (0.52) HPGDALDH1A1CYP1A2POLBNPC1
SCHEMBL5641667 0.81 GRIN1 (0.67) HPGDALDH1A1LMNASMN1; SMN2GRIN1
SCHEMBL5645352 0.81 HPGD (0.55) HPGDALDH1A1CYP1A2POLBNPC1
SCHEMBL6358887 0.81 HPGD (0.55) HPGDALDH1A1CYP1A2POLBNPC1
SCHEMBL6358889 0.80 ALDH1A1 (0.65) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL6357738 0.80 ATM (0.56) HPGDALDH1A1CYP1A2POLBNPC1
SCHEMBL6355073 0.80 MEN1 (0.56) HPGDALDH1A1CYP1A2POLBNPC1
SCHEMBL5860823 0.79 NPC1 (0.71) HPGDALDH1A1CYP1A2POLBNPC1

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