SCHEMBL11736620

SCHEMBL11736620

Cc1ccc(-c2nnc(-c3ccccc3-c3ccccc3)o2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 17/20 0.79
▸ NPC1 O15118 16/20 0.79
▸ SMN1; SMN2 Q16637 13/20 0.79
▸ HPGD P15428 10/20 0.79
▸ NFKB1 P19838 2/20 0.79
▸ NFKB2 Q00653 2/20 0.79
▸ RELA Q04206 2/20 0.79
▸ POLB P06746 1/20 0.79
▸ ALDH1A1 P00352 5/20 0.67
▸ TSHR P16473 5/20 0.67
▸ KDM4E B2RXH2 5/20 0.65
▸ MAPT P10636 3/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ GAA P10253 2/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ HSD17B10 Q99714 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ LMNA P02545 1/20 0.57

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
SCHEMBL762284 0.89 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL14818889 0.89 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL4336383 0.89 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL14461284 0.87 NPC1 (0.96) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL10038533 0.87 NPC1 (0.96) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL21673239 0.87 NPC1 (0.96) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL13427017 0.86 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL12765574 0.85 RAB9A (0.76) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL12914232 0.85 RAB9A (0.65) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL11835135 0.83 RAB9A (0.78) RAB9ANPC1SMN1; SMN2HPGDNFKB1

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-4014871-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-03-29 — — US disclosed
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