SCHEMBL4624670

SCHEMBL4624670

N[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
KDM1A O60341 8/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
KDM1B Q8NB78 1/20 0.37
EDNRA P25101 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ANPEP P15144 2/20 0.36

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
SCHEMBL30065822 1.00 HTR2A (0.42) HTR2AKDM1AMEN1KMT2AGAA
SCHEMBL12955323 1.00 HTR2A (0.42) HTR2AKDM1AMEN1KMT2AGAA
SCHEMBL2481267 1.00 HTR2A (0.42) HTR2AKDM1AMEN1KMT2AGAA
SCHEMBL2481266 1.00 HTR2A (0.42) HTR2AKDM1AMEN1KMT2AGAA
SCHEMBL11869101 0.81 KDM1A (0.38) HTR2AKDM1AMEN1KMT2AGAA
SCHEMBL29436947 0.78 EDNRA (0.43) HTR2AMEN1KMT2AGAAEDNRA
SCHEMBL8850719 0.72 HTR2A (0.60) HTR2AKDM1AMEN1KMT2AGAA
SCHEMBL545454 0.70 MEN1 (0.53) HTR2AKDM1AMEN1KMT2AGAA
SCHEMBL29490140 0.70 MEN1 (0.53) HTR2AKDM1AMEN1KMT2AGAA
Methane SCHEMBL5316271 0.69

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10731062-B2 Gas-generating material and micropump SEKISUI CHEMICAL CO., LTD. (JP) 2020-08-04 US disclosed
EP-2860167-B1 GAS GENERATING MATERIAL, AND MICROPUMP SEKISUI CHEMICAL CO LTD (JP) 2020-04-29 EP disclosed
EP-2907798-B1 GAS-GENERATING MATERIAL AND MICROPUMP SEKISUI CHEMICAL CO LTD (JP) 2019-02-06 EP disclosed
US-20150232714-A1 GAS-GENERATING MATERIAL AND MICROPUMP SEKISUI CHEMICAL CO., LTD. (JP) 2015-08-20 US disclosed
EP-2907798-A1 GAS-GENERATING MATERIAL AND MICROPUMP Sekisui Chemical Co., Ltd. (JP) 2015-08-19 EP disclosed
EP-2860167-A1 GAS GENERATING MATERIAL, AND MICROPUMP Sekisui Chemical Co., Ltd. (JP) 2015-04-15 EP disclosed
US-8986630-B2 Gas-generating material and micro pump SEKISUI CHEMICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-20140161687-A1 GAS-GENERATING MATERIAL AND MICRO PUMP SEKISUI CHEMICAL CO., LTD. (JP) 2014-06-12 US disclosed
EP-1394168-B1 Process for the preparation of phosphites and complexes with transition metals SALTIGO GMBH (DE) 2008-05-21 EP disclosed
US-6992201-B2 Process for preparing phosphites and transition metal complexes BAYER AKTIENGESELLSCHAFT (DE) 2006-01-31 US disclosed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 US disclosed
EP-1394168-A1 Process for the preparation of phosphites and complexes with transition metals Bayer Chemicals AG (DE) 2004-03-03 EP disclosed