SCHEMBL11880540

SCHEMBL11880540

CCCCCCCCCCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.60
▸ MAPT P10636 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ ALOX12 P18054 1/20 0.60
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ POLB P06746 2/20 0.52

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
SCHEMBL11642338 0.87 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL11744214 0.83 MAPT (0.60) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL14557417 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL11477922 0.82 MAPT (0.73) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL10675251 0.79 ALDH1A1 (0.65) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL5592639 0.79 ALDH1A1 (0.76) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11515264 0.78 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14605805 0.76 ALDH1A1 (0.69) ALDH1A1MAPTLMNASMN1; SMN2ALOX12
SCHEMBL14605816 0.76 MAPT (0.80) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL24210088 0.75 KMT2A (0.83) ALDH1A1MAPTLMNASMN1; SMN2ALOX12

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-3961959-A DEVELOPMENT RELEASING INHIBITOR KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1976-06-08 — — US disclosed
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