SCHEMBL12124161

SCHEMBL12124161

Nc1cc2ccccc2c(-c2c(N)c(N)cc3ccccc23)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 3/20 0.46
CYP3A4 P08684 1/20 0.46
KEAP1 Q14145 1/20 0.46
GAA P10253 3/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
HPRT1 P00492 1/20 0.43
KDM4E B2RXH2 4/20 0.42
POLB P06746 3/20 0.42
HTT P42858 2/20 0.42
RAD52 P43351 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1B1 Q16678 1/20 0.42
HTR2A P28223 1/20 0.41
ALOX5 P09917 1/20 0.39
GLA P06280 3/20 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
SCHEMBL28174443 0.87 ACHE (0.43) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL584973 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL30599052 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29863315 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL677653 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29463710 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL31281983 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL8602500 0.78 RAB9A (0.44) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL3673336 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL3669260 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDTSHRCYP3A4

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 8 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-8056732-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2011-11-15 US disclosed
US-8056732-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2011-11-15 US disclosed
US-20100304112-A1 MICROPOROUS POLYMER MATERIAL THE UNIVERSITY OF MANCHESTER (GB) 2010-12-02 US disclosed
US-20100304112-A1 MICROPOROUS POLYMER MATERIAL THE UNIVERSITY OF MANCHESTER (GB) 2010-12-02 US disclosed
US-7690514-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2010-04-06 US disclosed
US-7690514-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2010-04-06 US disclosed