SCHEMBL22033279

SCHEMBL22033279

O=C(Nc1cc(F)cc(Cl)c1)c1cc(N2CCCS2(O)O)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ P2RX1 P51575 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ TP53 P04637 4/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL22033062 0.95 KMT2A (0.46) KMT2AMEN1P2RX1P2RX4P2RX7
SCHEMBL22032964 0.92 KMT2A (0.51) KMT2AMEN1P2RX1P2RX4P2RX7
SCHEMBL22033012 0.90 KMT2A (0.43) KMT2AMEN1P2RX1TP53CSF1R
SCHEMBL22033280 0.90 TP53 (0.52) KMT2AMEN1P2RX1P2RX4P2RX7
SCHEMBL22033572 0.88 MEN1 (0.45) KMT2AMEN1P2RX1P2RX4P2RX7
SCHEMBL22033337 0.88 KMT2A (0.47) KMT2AMEN1P2RX1TP53CSF1R
SCHEMBL22032991 0.88 P2RX1 (0.38) KMT2AMEN1P2RX1P2RX4P2RX7
SCHEMBL22033048 0.85 MEN1 (0.51) KMT2AMEN1P2RX1P2RX4P2RX7
SCHEMBL22032874 0.85 KMT2A (0.44) KMT2AMEN1P2RX1CYP1A2CYP2C9
SCHEMBL22033338 0.84 P2RX1 (0.48) KMT2AMEN1P2RX1P2RX4P2RX7

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-2020117877-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2020-06-11 — — WO disclosed
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