SCHEMBL11658968

SCHEMBL11658968

Cc1cccc(N(CCc2ccccc2)Nc2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 8/20 0.45
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ POLB P06746 3/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL11653494 0.89 HTT (0.40) P2RX4POLBSMN1; SMN2KMT2AMEN1
SCHEMBL11652098 0.87 P2RX4 (0.40) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL11655806 0.79 KMT2A (0.40) POLBSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL11653324 0.78 KMT2A (0.41) P2RX4POLBRXFP1SMN1; SMN2KMT2A
SCHEMBL11658967 0.72 POLB (0.43) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL11656425 0.72 POLB (0.43) P2RX4POLBRXFP1SMN1; SMN2KMT2A
SCHEMBL11771164 0.68 POLB (0.50) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL11657408 0.67 ALDH1A1 (0.41) P2RX4CYP2D6POLBRXFP1SMN1; SMN2
SCHEMBL11655829 0.67 POLB (0.40) P2RX4CYP2D6POLBRXFP1SMN1; SMN2
SCHEMBL29625922 0.65 IDH1 (0.56) P2RX4SMN1; SMN2KMT2AMEN1MAPT

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-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
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