SCHEMBL2848353

SCHEMBL2848353

O=C(NCCc1ccccn1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
CNR1 P21554 1/20 0.47
POLB P06746 1/20 0.43
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
F2 P00734 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
FPR3 P25089 1/20 0.39
S1PR1 P21453 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL2854676 0.91 ALDH1A1 (0.45) SMN1; SMN2RAB9AALDH1A1HTTKDM4E
SCHEMBL2855547 0.87 TAAR1 (0.54) SMN1; SMN2CNR1POLBRAB9AALDH1A1
SCHEMBL2860669 0.85 TAAR1 (0.46) CNR1ALDH1A1KDM4EMAPTLMNA
SCHEMBL2857987 0.85 CNR1 (0.43) SMN1; SMN2CNR1POLBALDH1A1KDM4E
SCHEMBL2859861 0.85 TAAR1 (0.51) SMN1; SMN2CNR1POLBALDH1A1HTT
SCHEMBL2858012 0.84 CNR1 (0.46) SMN1; SMN2CNR1POLBALDH1A1KDM4E
SCHEMBL2858371 0.84 SMN1; SMN2 (0.48) SMN1; SMN2CNR1POLBRAB9AALDH1A1
SCHEMBL2858618 0.84 ALDH1A1 (0.41) SMN1; SMN2CNR1POLBALDH1A1KDM4E
SCHEMBL2860468 0.84 KDM4E (0.44) CNR1KDM4EMAPTLMNAMAPK1
SCHEMBL2854517 0.83 MAPT (0.42) SMN1; SMN2CNR1POLBALDH1A1KDM4E

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed