SCHEMBL10949920

SCHEMBL10949920

c1cc2cc(c1)-c1nc3cc(ccc3s1)-c1ccc3sc-2nc3c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.56
▸ NFKB1 P19838 6/20 0.56
▸ NFKB2 Q00653 6/20 0.56
▸ RELA Q04206 6/20 0.56
▸ MAPT P10636 6/20 0.56
▸ NPC1 O15118 6/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ POLB P06746 3/20 0.56
▸ GAA P10253 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ TP53 P04637 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ GLA P06280 2/20 0.51

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
SCHEMBL11656487 0.88 MAPT (0.74) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL10951560 0.86 RAB9A (0.67) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL10423497 0.86 RAB9A (0.61) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL27049208 0.85 RAB9A (0.54) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL19369617 0.85 RAB9A (0.58) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL5595585 0.85 KDM4E (0.65) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL27049229 0.84 RAB9A (0.53) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL12376182 0.83 RAB9A (0.73) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL5461064 0.82 RAB9A (0.77) RAB9ANFKB1NFKB2RELAMAPT
SCHEMBL18289646 0.82 RAB9A (0.61) RAB9ANFKB1NFKB2RELAMAPT

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-4505840-A Heterocyclic electroactive polymers CHEVRON RESEARCH COMPANY (US) 1985-03-19 — — US disclosed
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