SCHEMBL11364130

SCHEMBL11364130

Cc1ccc(-c2nnc(N)s2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 10/20 0.43
▸ HSD17B10 Q99714 6/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MGAM O43451 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ SI P14410 3/20 0.42
▸ MGAM2 Q2M2H8 3/20 0.42
▸ NPC1 O15118 3/20 0.42

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
SCHEMBL31758552 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL11364358 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1997012 0.71 MGAM (0.53) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13801139 0.71 ADORA2A (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL11372956 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11374643 0.69 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13680728 0.69 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL11364788 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL127716 0.68 FBP1 (0.54) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL570555 0.68 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
Send feedback