SCHEMBL4537567

SCHEMBL4537567

O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
GAA P10253 9/20 0.58
KDM4E B2RXH2 2/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 8/20 0.53
HTT P42858 4/20 0.48
NOD2 Q9HC29 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.46
AGTR1 P30556 2/20 0.46
ALOX12 P18054 1/20 0.46
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CNR2 P34972 1/20 0.45
GLA P06280 2/20 0.45

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
SCHEMBL4542493 0.94 SMN1; SMN2 (0.59) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4542179 0.90 SMN1; SMN2 (0.59) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4542500 0.85 SMN1; SMN2 (0.56) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL13707559 0.85 SMN1; SMN2 (0.62) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4542720 0.81 SMN1; SMN2 (0.58) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4543827 0.81 SMN1; SMN2 (0.63) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4542470 0.81 MAPT (0.66) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4543628 0.81 SMN1; SMN2 (0.62) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4539883 0.80 SMN1; SMN2 (0.50) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4540256 0.80 SMN1; SMN2 (0.59) MAPTSMN1; SMN2MEN1KMT2ANPSR1

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed