SCHEMBL10628362

SCHEMBL10628362

Cc1ccc(-c2ncc(-c3ccc(C)s3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HSD17B1 P14061 3/20 0.38
▸ HSD17B2 P37059 3/20 0.38
▸ XDH P47989 1/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ NOS3 P29474 1/20 0.35

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
SCHEMBL13697899 0.91 RAB9A (0.49) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL15090468 0.85 HSD17B1 (0.50) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL12170052 0.85 NPC1 (0.39) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL12537255 0.83 NPC1 (0.38) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL12194116 0.83 NPC1 (0.38) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL10630306 0.82 GCK (0.39) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL12537251 0.81 NPC1 (0.39) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL10013468 0.80 PGR (0.41) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL15740009 0.79 NOS1 (0.39) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL10626245 0.79 HSD17B1 (0.39) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A

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
US-4791124-A INSECTICIDES, MITICIDES, NEMATOCIDES FMC CORPORATION (US) 1988-12-13 — — US claimed
WO-1987006429-A1 PHOTOACTIVE AZOLE PESTICIDES FMC CORPORATION (US) 1987-11-05 — — WO claimed
US-4791124-A INSECTICIDES, MITICIDES, NEMATOCIDES FMC CORPORATION (US) 1988-12-13 — — US disclosed
WO-1987006429-A1 PHOTOACTIVE AZOLE PESTICIDES FMC CORPORATION (US) 1987-11-05 — — WO disclosed
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