SCHEMBL14995657

SCHEMBL14995657

O=C(O)Oc1cc(-c2cc(F)cc(Cl)c2)n(-c2ccc(Cl)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 10/20 0.43
▸ RXRB P28702 10/20 0.43
▸ RXRG P48443 10/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PPP1CA P62136 2/20 0.36
▸ RPA1 P27694 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MARS1 P56192 1/20 0.33
▸ XPO1 O14980 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14995389 0.91 RXRA (0.43) RXRARXRBRXRGMEN1KMT2A
SCHEMBL14995536 0.90 RXRA (0.42) RXRARXRBRXRGMEN1KMT2A
SCHEMBL14995646 0.85 RXRA (0.41) RXRARXRBRXRGMEN1KMT2A
SCHEMBL14995358 0.84 MARS1 (0.46) RXRARXRBRXRGMEN1KMT2A
SCHEMBL14995435 0.84 RXRA (0.46) RXRARXRBRXRGMEN1KMT2A
SCHEMBL14995355 0.84 RXRA (0.41) RXRARXRBRXRGMEN1KMT2A
SCHEMBL3432282 0.84 RXRA (0.52) RXRARXRBRXRGMEN1KMT2A
SCHEMBL15004402 0.84 KMT2A (0.59) RXRARXRBRXRGMEN1KMT2A
SCHEMBL14995626 0.83 RXRA (0.40) RXRARXRBRXRGMEN1KMT2A
SCHEMBL3434224 0.81 RXRA (0.42) RXRARXRBRXRGMEN1KMT2A

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
EP-2785705-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AiCuris GmbH & Co. KG (DE) 2014-10-08 — — EP disclosed
WO-2013079586-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2013-06-06 — — WO disclosed
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