SCHEMBL10896458

SCHEMBL10896458

CCc1nc(Cl)cc(N2CC[S+]([O-])CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL21157766 0.81 CRHBP (0.42) KMT2ACYP1A2CYP2D6MAPTHRH4
SCHEMBL18398994 0.79 CYP1A2 (0.60) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL10895337 0.77 KMT2A (0.38) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL10646284 0.72 PDE10A (0.33)
SCHEMBL27758019 0.72 CASP1 (0.56) KMT2AMAPTLMNA
SCHEMBL2021947 0.69 CYP1A2 (0.44) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL1319508 0.69 KMT2A (0.38) KMT2ALMNA
SCHEMBL11016494 0.68 POLB (0.33)
SCHEMBL21796865 0.67 PIK3CD (0.44) KMT2ACYP1A2CYP2D6MAPTRAF1
SCHEMBL18399228 0.67 PIK3CD (0.44) KMT2ACYP1A2CYP2D6MAPTRAF1

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-4591588-A Triazolo[1,5-c]pyrimidines and bronchodilation use thereof RIKER LABORATORIES, INC. (US) 1986-05-27 US disclosed
US-4536579-A BRONCHODILATING AGENTS RIKER LABORATORIES, INC. (US) 1985-08-20 US disclosed