SCHEMBL10662853

SCHEMBL10662853

CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.97
▸ SMN1; SMN2 Q16637 7/20 0.97
▸ NPC1 O15118 7/20 0.97
▸ NFKB1 P19838 2/20 0.97
▸ NFKB2 Q00653 2/20 0.97
▸ RELA Q04206 2/20 0.97
▸ TP53 P04637 1/20 0.80
▸ RARB P10826 7/20 0.73
▸ MAPT P10636 4/20 0.71
▸ STAT3 P40763 1/20 0.71
▸ ATM Q13315 1/20 0.71
▸ ALDH1A1 P00352 3/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ RARA P10276 1/20 0.69
▸ MTOR P42345 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ CASP3 P42574 2/20 0.66
▸ SENP8 Q96LD8 2/20 0.66
▸ SENP7 Q9BQF6 2/20 0.66
▸ SENP6 Q9GZR1 2/20 0.66

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
SCHEMBL9723816 1.00 RAB9A (0.97) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9805357 0.99 RAB9A (1.00) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8595854 0.92 SMN1; SMN2 (0.83) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9734731 0.92 SMN1; SMN2 (0.82) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL10470971 0.91 RAB9A (0.86) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL10348208 0.89 RAB9A (0.78) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9697509 0.88 RAB9A (0.76) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9435126 0.87 RAB9A (0.74) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
Hydrochloric Acid SCHEMBL10661558 0.87 RAB9A (0.74) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9723790 0.86 SMN1; SMN2 (0.85) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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-4723018-A USED IN FERROELECTRIC LIQUID CRYSTAL DISPLAYS SEIKO EPSON CORPORATION (JP) 1988-02-02 — — US disclosed
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