SCHEMBL15068906

SCHEMBL15068906

O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc2c(C(F)(F)F)cccc2o1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc2cccc(C(F)(F)F)c2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NCF1 P14598 1/20 0.39
C1R P00736 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL16669959 0.94 C1R (0.43) ALDH1A1KDM4EMAPTNPC1HPGD
Hydrochloric Acid SCHEMBL15068709 0.93 C1R (0.42) ALDH1A1KDM4EMAPTNPC1HPGD
SCHEMBL15086397 0.93 HRH4 (0.43) ALDH1A1KDM4EMAPTNPC1HPGD
Hydrochloric Acid SCHEMBL15069015 0.92 HRH4 (0.42) ALDH1A1KDM4EMAPTNPC1HPGD
Trifluoroacetic Acid SCHEMBL15068525 0.89 C1R (0.41) ALDH1A1KDM4EMAPTNPC1HPGD
Trifluoroacetic Acid SCHEMBL15068701 0.88 BACE1 (0.42) ALDH1A1HRH4NCF1JAK2JAK1
SCHEMBL15069087 0.81 MAPT (0.40) ALDH1A1KDM4EMAPTNPC1HPGD
SCHEMBL15068964 0.81 HTR7 (0.41) ALDH1A1KDM4EMAPTNPC1HPGD
Hydrochloric Acid SCHEMBL15069757 0.80 MAPT (0.40) ALDH1A1KDM4EMAPTNPC1HPGD
Hydrochloric Acid SCHEMBL15066908 0.80 HTR7 (0.41) ALDH1A1KDM4EMAPTNPC1HPGD

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-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP claimed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO claimed