SCHEMBL3219928

SCHEMBL3219928

O=C(Nc1cccc(F)c1)c1cc(Nc2ccccc2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
S1PR1 P21453 1/20 0.50
KCNK3 O14649 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
HDAC3 O15379 1/20 0.48
NCOR1 O75376 1/20 0.48
EGFR P00533 2/20 0.48
ERBB3 P21860 2/20 0.48

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
SCHEMBL3232643 0.89 S1PR1 (0.50) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL3226072 0.89 EGFR (0.56) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL3228067 0.88 EGFR (0.58) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL3226154 0.88 S1PR1 (0.61) NPC1RAB9AMEN1KMT2AJAK2
SCHEMBL3222813 0.82 EGFR (0.64) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL3221150 0.82 S1PR1 (0.58) RAB9AMEN1KMT2AJAK2TYK2
SCHEMBL3229139 0.82 S1PR1 (0.72) NPC1RAB9AMEN1KMT2AJAK2
SCHEMBL3227055 0.82 S1PR1 (0.58) RAB9AMEN1KMT2AJAK2TYK2
SCHEMBL3231420 0.81 SMN1; SMN2 (0.54) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL3227005 0.81 TNNI3K (0.57) MEN1KMT2AJAK2TYK2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed