SCHEMBL12068101

SCHEMBL12068101

O=C(NCc1cccs1)c1cc(Cl)c2cc(C3C=COC3)cc(C(F)(F)F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 6/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CPT1A P50416 1/20 0.36
▸ HSD17B13 Q7Z5P4 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ STAMBP O95630 1/20 0.36
▸ COPS5 Q92905 1/20 0.36

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
SCHEMBL12068100 0.89 KDM4E (0.44) RAB9AALDH1A1POLBNPC1SMN1; SMN2
SCHEMBL12068693 0.84 PTGES (0.38) RAB9AALDH1A1POLBNPC1SMN1; SMN2
SCHEMBL10215328 0.82 ALDH1A1 (0.44) RAB9AALDH1A1POLBNPC1SMN1; SMN2
SCHEMBL12066784 0.80 SCD (0.37) HPGDTSHRHSD17B13
SCHEMBL10215374 0.80 RAB9A (0.51) RAB9AALDH1A1POLBNPC1SMN1; SMN2
SCHEMBL10215288 0.77 RAB9A (0.42) RAB9AALDH1A1POLBNPC1SMN1; SMN2
SCHEMBL10215609 0.72 ADORA2A (0.46) RAB9AALDH1A1POLBNPC1MEN1
SCHEMBL10216317 0.70 RAB9A (0.52) RAB9AALDH1A1POLBNPC1SMN1; SMN2
SCHEMBL10215373 0.70 RAB9A (0.51) RAB9AALDH1A1POLBNPC1SMN1; SMN2
SCHEMBL10215554 0.68 RAB9A (0.49) RAB9AALDH1A1POLBNPC1SMN1; SMN2

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
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 — — WO disclosed
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