SCHEMBL18976912

SCHEMBL18976912

Cc1ccc(NC(=O)C(C)Br)c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ EGFR P00533 4/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ALOX12 P18054 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ FFAR2 O15552 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ GRM5 P41594 2/20 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
SCHEMBL16372409 0.86 SMN1; SMN2 (0.37) POLBMAPK1SMN1; SMN2RAB9AMAPT
SCHEMBL21261476 0.83 ALDH1A1 (0.36) POLBMAPK1RAB9AGBA1MAPT
SCHEMBL18977545 0.74 SCN1A (0.42) POLBMAPT
SCHEMBL15426481 0.74 L3MBTL1 (0.44) EGFRSMN1; SMN2RAB9AMAPT
SCHEMBL12814024 0.73 RAB9A (0.54) POLBMAPK1ALOX12SMN1; SMN2RAB9A
SCHEMBL12814019 0.73 RAB9A (0.54) POLBMAPK1ALOX12SMN1; SMN2RAB9A
SCHEMBL9792253 0.72 NPC1 (0.56) POLBEGFRSMN1; SMN2RAB9AMAPT
SCHEMBL21253061 0.71 MAPK1 (0.35) POLBMAPK1SMN1; SMN2RAB9AMAPT
SCHEMBL17853431 0.71 ALDH1A1 (0.35) MAPK1SMN1; SMN2RAB9AMAPT
SCHEMBL20684265 0.71 NR4A2 (0.45) POLBEGFRRAB9A

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
EP-3019493-B1 MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2017-06-14 — — EP disclosed
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