SCHEMBL3721077

SCHEMBL3721077

COc1ccc(F)cc1-c1cc(CN)nc(N2CCN(c3ccccc3F)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.51
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 8/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 2/20 0.42
GLA P06280 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3722732 0.87 ALDH1A1 (0.46) AGERMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL3717799 0.86 SMN1; SMN2 (0.41) AGERMAPK1TP53ALDH1A1LMNA
SCHEMBL3721099 0.83 SMN1; SMN2 (0.44) AGERMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL3721073 0.83 AGER (0.49) AGERMAPK1TP53ALDH1A1LMNA
SCHEMBL3724503 0.81 CYP11B2 (0.46) AGERTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3727042 0.81 DRD2 (0.47) MAPK1TP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3726395 0.79 LMNA (0.41) AGERMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL3721778 0.79 SMN1; SMN2 (0.46) MAPK1ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL3721047 0.79 SMN1; SMN2 (0.45) MAPK1TP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3720203 0.79 KMT2A (0.42) AGERTP53ALDH1A1LMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed