SCHEMBL9264243

SCHEMBL9264243

CC(C)N1CC2CC(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD11B1 P28845 1/20 0.44
MGLL Q99685 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
Hydrochloric Acid SCHEMBL9271468 0.99 KMT2A (0.45) KMT2AATMCA12CA1CA2
SCHEMBL9265627 0.81 ALDH1A1 (0.51) KMT2AALDH1A1POLBMEN1SMN1; SMN2
SCHEMBL8711485 0.81 PAX8 (0.48) ATMPOLBHSD11B1NPC1RAB9A
SCHEMBL9257879 0.81 CHRNB2 (0.46) KMT2ACA12CA1CA2CA7
SCHEMBL6336383 0.81 CHRNA7 (0.57) KMT2AALDH1A1POLBMGLLHPGD
SCHEMBL6319408 0.81 CHRNB2 (0.61) ALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL9272008 0.80 CHRNB2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL4042905 0.80 CA12 (0.62) KMT2ACA12CA1CA2CA7
SCHEMBL14236800 0.78 RAB9A (0.63) KMT2AATMCA12CA1CA2
SCHEMBL17055124 0.76 CA1 (0.56) KMT2AATMCA12CA1CA2

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-5468858-A Sudden death syndrome THE BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY PHYSICAL SCIENCES (US) 1995-11-21 US disclosed