SCHEMBL3227055

SCHEMBL3227055

O=C(Nc1ccc(Cl)cc1)c1cc(Nc2ccccc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.58
EGFR P00533 9/20 0.56
ERBB3 P21860 8/20 0.56
KMO O15229 2/20 0.54
KDR P35968 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50
CNR1 P21554 1/20 0.49
TNNI3K Q59H18 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL3221150 1.00 S1PR1 (0.58) S1PR1EGFRERBB3KMOKDR
SCHEMBL3226154 0.93 S1PR1 (0.61) S1PR1EGFRERBB3KMOKDR
SCHEMBL3229139 0.89 S1PR1 (0.72) S1PR1EGFRERBB3KMOKMT2A
SCHEMBL3228067 0.88 EGFR (0.58) S1PR1EGFRERBB3KMOKMT2A
SCHEMBL3222525 0.88 EGFR (0.73) S1PR1EGFRERBB3KMOKMT2A
SCHEMBL3227236 0.85 S1PR1 (0.57) S1PR1EGFRERBB3KMOKDR
SCHEMBL3229082 0.85 KCNH2 (0.59) S1PR1EGFRERBB3KMOTNNI3K
SCHEMBL3222813 0.82 EGFR (0.64) S1PR1EGFRERBB3KMOKMT2A
SCHEMBL3219928 0.82 NPC1 (0.56) S1PR1EGFRERBB3KMOKMT2A
SCHEMBL3225334 0.82 RAB9A (0.57) S1PR1KMT2AMEN1JAK2TYK2

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