SCHEMBL10353499

SCHEMBL10353499

Cn1ccnc1NC(=O)CC=O.O=C(Nc1ccccc1C(F)(F)F)C(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL10353722 0.79 ALDH1A1 (0.49) RAB9ATP53MAPK1POLBMAPT
SCHEMBL10946163 0.76 KDM4E (0.36) RAB9ATP53POLBRXFP1ALDH1A1
SCHEMBL10946172 0.74 P2RX7 (0.38) RAB9ATP53ALDH1A1KDM4E
SCHEMBL9838921 0.74 MAPK1 (0.46) RAB9AMAPK1POLBMAPTALDH1A1
SCHEMBL9838907 0.74 MAPK1 (0.44) RAB9AMAPK1POLBALDH1A1KDM4E
SCHEMBL10668212 0.74 POLB (0.57) RAB9AMAPK1POLBALDH1A1KDM4E
SCHEMBL9839292 0.72 ALDH1A1 (0.46) RAB9AALDH1A1KDM4ETSHRHTT
SCHEMBL10665049 0.71 CYP1A2 (0.46) MAPK1POLBALDH1A1TSHRKMT2A
SCHEMBL10841495 0.70 ALDH1A1 (0.46) RAB9ATP53POLBMAPTALDH1A1
SCHEMBL9601530 0.70 ALDH1A1 (0.43) RAB9ATP53MAPK1MAPTALDH1A1

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-0143123-B1 INDUSTRIAL PRODUCTS USEFUL AS INTERMEDIATES IN THE PREPARATION OF 4-HYDROXY-3 QUINOLEINE CARBOXAMIDE DERIVATIVES SUBSTITUTED AT POSITION 2, AND THE PREPARATION OF THESE INTERMEDIATES ROUSSEL-UCLAF (FR) 1990-07-25 — — EP disclosed
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