SCHEMBL3476097

SCHEMBL3476097

O=C(O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
THRB P10828 2/20 0.53
F2RL3 Q96RI0 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3478605 0.81 GAA (0.53) MAPTLMNAGAATHRBF2RL3
SCHEMBL14680409 0.78 MAPT (0.71) MAPTLMNAGAATHRB
SCHEMBL3475609 0.78 FAAH (0.41) MAPTLMNAGAAALDH1A1MAPK1
SCHEMBL3475610 0.77 FAAH (0.40) MAPTLMNAGAAALDH1A1MAPK1
SCHEMBL3111060 0.77 MAPT (0.46) MAPTLMNAGAATHRBALDH1A1
SCHEMBL3765693 0.77 LMNA (0.72) MAPTLMNAGAAALDH1A1MAPK1
SCHEMBL3476467 0.74 PRKD3 (0.44) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL3476466 0.74 PRKD3 (0.44) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL13072855 0.73 MAPT (0.51) MAPTLMNAGAATHRBF2RL3
SCHEMBL20337993 0.73 MAPT (0.58) MAPTLMNAGAATHRB

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
WO-2010130934-A2 2-CYCLOAMINO-5-(PYRIDIN-4-YL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed