SCHEMBL14601414

SCHEMBL14601414

CC1(C)CC2(CC(C)(C)c3cc(N)c(N)cc32)c2cc(N)c(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.38
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR4A1 P22736 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL15428156 0.87 PTK2 (0.44) PTK2CYP3A4TP53THRBALOX15
SCHEMBL29850490 0.86 ALDH1A1 (0.36) CYP3A4THRBALOX15SMN1; SMN2TDP1
SCHEMBL14945765 0.86 ALDH1A1 (0.36) CYP3A4THRBALOX15SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL17075278 0.85 PTK2 (0.42) PTK2CYP3A4TP53THRBALOX15
SCHEMBL12124165 0.84 MEN1 (0.41)
SCHEMBL18088472 0.84 ALDH1A1 (0.35) CYP3A4THRBALOX15SMN1; SMN2TDP1
SCHEMBL21440506 0.84
SCHEMBL21440625 0.79 RXRA (0.38) PTK2CYP3A4TP53THRBALOX15
SCHEMBL17789211 0.78 ALDH1A1 (0.32) CYP3A4THRBALOX15SMN1; SMN2TDP1
SCHEMBL15427792 0.77 PTK2 (0.35) PTK2CYP3A4TP53THRBALOX15

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
US-11117104-B2 Composite membranes having intrinsic microporosity IP2IPO INNOVATIONS LIMITED (GB) 2021-09-14 US disclosed
US-10434479-B2 Composite membranes having intrinsic microporosity IP2IPO INNOVATIONS LIMITED (GB) 2019-10-08 US disclosed
US-7160356-B2 Dithiolene functionalized polymer membrane for olefin/paraffin separation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-01-09 US disclosed
US-7160356-B2 Dithiolene functionalized polymer membrane for olefin/paraffin separation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-01-09 US disclosed