SCHEMBL9988522

SCHEMBL9988522

O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(C(=O)O)cc2)n1)NCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.50
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NTRK1 P04629 6/20 0.47
P2RX7 Q99572 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
NTRK3 Q16288 3/20 0.42
DGAT2 Q96PD7 1/20 0.41

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
SCHEMBL9989144 0.89 SMN1; SMN2 (0.49) MALT1HPGDALOX15TDP1NTRK1
SCHEMBL9989046 0.88 TP53 (0.50) MALT1HPGDALOX15TDP1NTRK1
SCHEMBL9989017 0.88 MALT1 (0.53) MALT1RXRARXRBRXRGPOLB
SCHEMBL9988484 0.87 MALT1 (0.47) MALT1HPGDKMT2ARXRARXRB
SCHEMBL9988495 0.87 MALT1 (0.49) MALT1RXRARXRBRXRGDGAT2
SCHEMBL9989719 0.87 HPGD (0.48) MALT1HPGDALOX15TDP1NTRK1
SCHEMBL9990171 0.84 MALT1 (0.50) MALT1RXRARXRBRXRG
SCHEMBL9988866 0.84 MALT1 (0.49) MALT1HPGDKMT2ARXRARXRB
SCHEMBL9988478 0.84 MALT1 (0.56) MALT1RXRARXRBRXRG
SCHEMBL9988512 0.82 MALT1 (0.57) MALT1RXRARXRBRXRGLMNA

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed