SCHEMBL11374643

SCHEMBL11374643

Cc1coc(-c2nnc(N)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ KDM4E B2RXH2 10/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MGAM O43451 6/20 0.38
▸ GAA P10253 6/20 0.38
▸ SI P14410 6/20 0.38
▸ MGAM2 Q2M2H8 6/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37

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
SCHEMBL11364358 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11362286 0.71 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11364130 0.69 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9698487 0.68 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11365359 0.68 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11364381 0.68 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11362573 0.68 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11372956 0.68 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11377523 0.67 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL570555 0.67 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 — — US disclosed
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