SCHEMBL11807293

SCHEMBL11807293

N#CSc1ncnc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM1A O60341 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
PKM P14618 1/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL11803328 0.79 HTT (0.59) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL29975518 0.76 ALDH1A1 (0.56) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL1780458 0.76 ALDH1A1 (0.56) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL27212829 0.73 KDM1A (0.58) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL1994622 0.72 ADORA2A (0.59) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL11801685 0.69 TLR7 (0.49) MAPTSMN1; SMN2ALDH1A1L3MBTL1ADORA2A
SCHEMBL5269788 0.69 BCAT2 (0.60) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL10483749 0.69 ALDH1A1 (1.00) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL15452757 0.68 KDM1A (0.53) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL6213388 0.68 MAPT (0.61) MAPTLMNASMN1; SMN2ALDH1A1HTT

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-3962444-A Use of 4-thiocyano-quinazolines as fungicides U.S. PHILIPS CORPORATION (US) 1976-06-08 US claimed
US-3962444-A Use of 4-thiocyano-quinazolines as fungicides U.S. PHILIPS CORPORATION (US) 1976-06-08 US disclosed