SCHEMBL16430729

SCHEMBL16430729

CCCCNCCCCNC(N)CCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
DPP7 Q9UHL4 1/20 0.42
RRM1 P23921 1/20 0.41
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
F13A1 P00488 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.39
THPO P40225 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP2 P42575 1/20 0.39

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
SCHEMBL15687741 0.91 TSHR (0.43) TSHRALDH1A1DPP7RRM1CA12
SCHEMBL13287223 0.90 DPP7 (0.50) TSHRALDH1A1DPP7RRM1MEN1
SCHEMBL28863060 0.89 CA12 (0.45) TSHRALDH1A1CA12CA2CA4
SCHEMBL3311312 0.88 RRM1 (0.51) TSHRALDH1A1DPP7RRM1MEN1
Hydrochloric Acid SCHEMBL5326758 0.87 LMNA (0.47) TSHRALDH1A1DPP7CA12CA2
Bromide SCHEMBL27973011 0.86 RRM1 (0.50) TSHRALDH1A1DPP7RRM1MEN1
SCHEMBL16473014 0.82 TSHR (0.50) TSHRALDH1A1DPP7CA12CA2
SCHEMBL3672040 0.81 CA12 (0.44) TSHRALDH1A1CA12CA2CA4
SCHEMBL11097474 0.79 CA12 (0.42) TSHRDPP7CA12CA2CA4
SCHEMBL4984121 0.79

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-3027754-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING enEvolv, Inc. (US) 2016-06-08 EP disclosed
WO-2015017866-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. (US) 2015-02-05 WO disclosed