SCHEMBL19102403

SCHEMBL19102403

CC[C@H]1CC[C@@H](N(C)Cc2ccccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LIN28A Q9H9Z2 1/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ MCHR1 Q99705 1/20 0.40
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 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
SCHEMBL17888208 0.91 TDP1 (0.52) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL13744480 0.85 SMN1; SMN2 (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL17297790 0.85 SMN1; SMN2 (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL17297961 0.85 SMN1; SMN2 (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL17376555 0.84 TSHR (0.51) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL10508730 0.84 RAB9A (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL19195010 0.84 TDP1 (0.45) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL10508734 0.84 RAB9A (0.46) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL19477704 0.84 TDP1 (0.45) TDP1MAPTSMN1; SMN2LIN28ARAB9A
SCHEMBL3122498 0.83 TSHR (0.50) TDP1MAPTSMN1; SMN2LIN28ARAB9A

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
US-9701666-B2 1,4-pyridone bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-07-11 — — US disclosed
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