SCHEMBL15214946

SCHEMBL15214946

CN(C)CCN(CCCN(CCN(C)C)CN(C)C)CCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
DNM1 Q05193 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL14212668 0.88 ALDH1A1 (0.47) ALDH1A1TSHRCA12CA2CA3
SCHEMBL14263632 0.88 CA12 (0.47) ALDH1A1TSHRCA12CA2CA3
SCHEMBL13100412 0.82 CA12 (0.47) ALDH1A1TSHRCA12CA2CA3
SCHEMBL476533 0.79 ALDH1A1 (0.53) ALDH1A1TSHRCA12CA2CA3
SCHEMBL15620 0.78 ALDH1A1 (0.60) ALDH1A1TSHRCA12CA2CA3
SCHEMBL15444951 0.78 CA12 (0.57) ALDH1A1TSHRCA12CA2CA3
SCHEMBL82581 0.78 CA12 (0.57) ALDH1A1TSHRCA12CA2CA3
SCHEMBL12794518 0.78 CA12 (0.57) ALDH1A1TSHRCA12CA2CA3
SCHEMBL23923650 0.76 ALDH1A1 (0.67) ALDH1A1TSHRCA12CA2CA3
SCHEMBL23939990 0.76 ALDH1A1 (0.67) ALDH1A1TSHRCA12CA2CA3

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-8519189-B2 Polymers for reversing heparin-based anticoagulation UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-08-27 US disclosed