SCHEMBL11515264

SCHEMBL11515264

CCCCCCCCCCCCCCCCCCNC(=O)CSc1nnnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ POLB P06746 5/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ TSHR P16473 2/20 0.59

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
SCHEMBL10681783 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMEN1MAPT
SCHEMBL24305911 0.78 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1MAPT
SCHEMBL17761121 0.78 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1MAPT
SCHEMBL3796608 0.78 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL11880540 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMEN1MAPT
SCHEMBL11320148 0.78 NPC1 (0.47) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL11744214 0.78 MAPT (0.60) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL10676166 0.77 HPGD (0.51) SMN1; SMN2KMT2A
SCHEMBL16526226 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2POLBMEN1MAPT
SCHEMBL11925367 0.77 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2POLBMEN1MAPT

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-4171975-A MAGENTA COUPLER AND AN AMIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-10-23 — — US disclosed
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