SCHEMBL30201

SCHEMBL30201

CCOC(=O)c1cc(-c2cccc(F)c2)c(Br)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
HSD17B10 Q99714 1/20 0.41
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
MMP1 P03956 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
SCHEMBL30407 0.75 JAK2 (0.56) ALDH1A1LMNATRPM8MAPTSMN1; SMN2
SCHEMBL21126993 0.75 MAP2K1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL31029 0.74 JAK2 (0.57) ALDH1A1LMNATRPM8MAPTSMN1; SMN2
SCHEMBL9591511 0.73 ALDH1A1 (0.51) ALDH1A1LMNATRPM8MAPTSMN1; SMN2
SCHEMBL16700939 0.73 MAPT (0.67) ALDH1A1LMNATRPM8MAPTSMN1; SMN2
SCHEMBL12992015 0.73 TRPM8 (0.50) ALDH1A1LMNATRPM8MAPTSMN1; SMN2
SCHEMBL15333820 0.72 JAK2 (0.53) ALDH1A1LMNATRPM8MAPTSMN1; SMN2
SCHEMBL24508637 0.72 TRPM8 (0.58) ALDH1A1LMNATRPM8MAPTSMN1; SMN2
SCHEMBL5080227 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL12991573 0.72 LMNA (0.47) ALDH1A1LMNATRPM8MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588480-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; SANOFI (FR) 2013-05-08 EP disclosed
WO-2011161537-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 WO disclosed