SCHEMBL13875105

SCHEMBL13875105

O=CNc1ccc2c(=O)[nH]sc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.46
▸ DDAH1 O94760 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ MAOA P21397 1/20 0.40
▸ LIMK1 P53667 2/20 0.33
▸ CCNE2 O96020 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31

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
SCHEMBL79222 0.74 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL8691865 0.72 KDM4E (0.43) ALDH1A1LMNAKDM4ELIMK1CCNE2
SCHEMBL11737600 0.69 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBKDM4E
Ticlatone SCHEMBL193888 0.69 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBKDM4E
Ticlatone SCHEMBL30165586 0.69 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL5807922 0.69 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL8130952 0.69 ALDH1A1 (1.00) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL18786879 0.68 MKNK1 (0.50) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL20882056 0.67 ROCK2 (0.50) —
SCHEMBL17782899 0.66 MAPT (0.61) ALDH1A1MAPTLMNAPOLBKDM4E

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-20160290036-A1 HEAT-SHIELDING MATERIAL AND WINDOW GLASS FUJIFILM CORPORATION (JP) 2016-10-06 — — US disclosed
US-20090087552-A1 METHOD OF PRODUCING HEAT-SENSITIVE TRANSFER IMAGE-RECEIVING SHEET FUJIFILM CORPORATION (JP) 2009-04-02 — — US disclosed
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