Isopropylamine

Isopropylamine

SCHEMBL27588232

CC(C)N.NCCNCCN

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.67
CA6 P23280 5/20 0.67
CA7 P43166 5/20 0.67
CA9 Q16790 5/20 0.67
CA14 Q9ULX7 5/20 0.67
CA5B Q9Y2D0 5/20 0.67
MEN1 O00255 2/20 0.67
RECQL P46063 2/20 0.67
KMT2A Q03164 2/20 0.67
CA2 P00918 4/20 0.62
CA4 P22748 4/20 0.62
CA5A P35218 4/20 0.62
LMNA P02545 3/20 0.62
CA3 P07451 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
ALOX15 P16050 3/20 0.62
CA1 P00915 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 1/20 0.62
KDM4E B2RXH2 1/20 0.59

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
SCHEMBL4461214 0.85 CA12 (0.61) CA12CA6CA7CA9CA14
SCHEMBL17472963 0.84 CA12 (0.62) CA12CA6CA7CA9CA14
Isopropyl Alcohol SCHEMBL11146748 0.84 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL13708372 0.83
SCHEMBL5314937 0.82 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL15381 0.82
SCHEMBL5923765 0.81 CA12 (0.61) CA12CA6CA7CA9CA14
Ammonia Solution, Strong SCHEMBL7971209 0.81 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL3064356 0.81 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL12227402 0.81 CA12 (0.55) CA12CA6CA7CA9CA14

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
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN claimed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed