SCHEMBL27714642

SCHEMBL27714642

CN(Cc1ccccc1)Cc1csc(NC(=O)Nc2ccc(CN)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPK14 Q16539 1/20 0.46
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ KDR P35968 1/20 0.40

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
SCHEMBL5216227 0.88 SMN1; SMN2 (0.50) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27694795 0.88 MAPT (0.46) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27714646 0.85 MAPT (0.41) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27714640 0.84 MAPT (0.43) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27694822 0.84 MAPT (0.47) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27714644 0.78 MAPT (0.45) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5218460 0.76 SMN1; SMN2 (0.46) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27694723 0.76 MAPT (0.44) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27714641 0.76 MAPT (0.44) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5219606 0.76 MAPT (0.44) MAPTLMNASMN1; SMN2MEN1KMT2A

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
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN claimed
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN disclosed
Send feedback