SCHEMBL14102709

SCHEMBL14102709

CCN1CCN(c2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)cc3ccsc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGDS O60760 1/20 0.43
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4772055 0.99 HPGDS (0.44) LMNARXFP1HPGDSBMPR1BBMPR1A
Hydrochloric Acid SCHEMBL4793876 0.98 HPGDS (0.43) LMNARXFP1HPGDSBMPR1BBMPR1A
SCHEMBL4769788 0.86 PTK2 (0.39) RXFP1POLBMAPTRAB9ANPC1
SCHEMBL4766720 0.85 PRKD1 (0.41) LMNATP53POLBMAPTHPGD
SCHEMBL4763700 0.85 KDM2B (0.39) LMNARXFP1MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL6289277 0.85 PTK2 (0.39) RXFP1POLBMAPTRAB9ANPC1
SCHEMBL4763442 0.85 AURKA (0.40) RXFP1TGFBR1TP53
Hydrochloric Acid SCHEMBL4763531 0.85 PRKD1 (0.41) LMNATP53POLBMAPTHPGD
Hydrochloric Acid SCHEMBL4774011 0.84 AURKA (0.40) RXFP1TGFBR1TP53
SCHEMBL6289169 0.84 PIK3CA (0.41) LMNATP53POLBMAPTRAB9A

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-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed