SCHEMBL9838907

SCHEMBL9838907

CC(C)C(Cl)C(=O)Nc1ccccc1C(F)(F)F.O=CCC(=O)Nc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ FFAR2 O15552 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 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
SCHEMBL9838921 0.89 MAPK1 (0.46) MAPK1LMNAPOLBGAAALDH1A1
SCHEMBL9839292 0.84 ALDH1A1 (0.46) FFAR2LMNAALDH1A1KDM4EKMT2A
SCHEMBL10353499 0.74 RAB9A (0.43) MAPK1POLBALDH1A1HPGDKDM4E
SCHEMBL10353722 0.74 ALDH1A1 (0.49) MAPK1LMNAPOLBALDH1A1HPGD
Bromide SCHEMBL6152082 0.73 GAA (0.69) POLBGAAALDH1A1KMT2ANPC1
SCHEMBL10841495 0.71 ALDH1A1 (0.46) LMNAPOLBALDH1A1HPGDKMT2A
SCHEMBL9601530 0.71 ALDH1A1 (0.43) MAPK1LMNAGAAALDH1A1HPGD
SCHEMBL10947190 0.70 ALDH1A1 (0.61) MAPK1LMNAPOLBGAAALDH1A1
SCHEMBL10660295 0.69 NPC1 (0.46) FFAR2LMNAPOLBGAAALDH1A1
SCHEMBL10353587 0.67 ALDH1A1 (0.51) MAPK1POLBGAAALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988708-A 3-Carbamoyl-4-hydroxy-2-carboxylmethyl quinoline analgesics, antiinflammatory agents ROUSSEL UCLAF (FR) 1991-01-29 — — US disclosed
US-4845105-A 4-OH-quinoline carboxylic acid amides having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1989-07-04 — — US disclosed
US-4735951-A Novel 4-hydroxy-3-quinoline-carboxylates having analgesic and anti-inflammatory activity ROUSSEL UCLAF (FR) 1988-04-05 — — US disclosed
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