SCHEMBL7902071

SCHEMBL7902071

Cc1cccc2sc(-c3nc4ccccc4o3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 8/20 0.45
▸ HPGD P15428 7/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ USP2 O75604 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ STAT1 P42224 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HCRTR1 O43613 3/20 0.41
▸ MEN1 O00255 3/20 0.41

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
SCHEMBL8991921 0.81 RAB9A (0.53) MAPTALDH1A1HPGDKDM4ETDP1
SCHEMBL20855087 0.77 ALDH1A1 (0.54) MAPTALDH1A1KDM4ETDP1NPC1
2-Phenylbenzo[D]Oxazole SCHEMBL3859759 0.73 NPC1 (0.48) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL900790 0.72 ALDH1A1 (0.56) MAPTALDH1A1HPGDKDM4ETDP1
SCHEMBL824375 0.71 NPC1 (0.69) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL29531707 0.71 NPC1 (0.69) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL4159029 0.71 NPC1 (0.67) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL28774905 0.70 KDM4E (0.55) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL10779720 0.69 ALDH1A1 (0.61) MAPTALDH1A1KDM4ETDP1NPC1
SCHEMBL21776842 0.69 NPC1 (0.53) MAPTALDH1A1HPGDKDM4EUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207464-B1 INCUBATING TARGET WITH DYE TO FORM A COVALENT BOND; BLUE FLUORESCING DYES CARNEGIE MELLON UNIVERSITY 2001-03-27 — — US disclosed
US-5852191-A Rigidized monomethine cyanines CARNEGIE MELLON UNIVERSITY (US) 1998-12-22 — — US disclosed
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