SCHEMBL5332293

SCHEMBL5332293

C=Cc1ccccc1C=C.C=Cn1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 4/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
TBXAS1 P24557 2/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
QPCT Q16769 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.33
AGER Q15109 1/20 0.33

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
SCHEMBL28813156 0.85 CYP11B1 (0.41) CYP3A4ALDH1A1CYP17A1CYP19A1CYP11B1
Styrene SCHEMBL15638667 0.84 TSHR (0.50) CYP3A4ALDH1A1CYP17A1CYP19A1CYP11B1
SCHEMBL25841 0.82
SCHEMBL16924647 0.82 NFKB1 (0.38) CYP3A4CYP17A1TBXAS1QPCTQPCTL
SCHEMBL20681406 0.81 ALDH1A1 (0.44) CYP3A4ALDH1A1CYP17A1CYP11B1TBXAS1
SCHEMBL10409198 0.80 MEN1 (0.42) CYP3A4ALDH1A1CYP17A1CYP1A2CYP2D6
Bromide SCHEMBL1681549 0.80
SCHEMBL20975544 0.80
Hydrochloric Acid SCHEMBL22471677 0.80 NFKB1 (0.36) CYP17A1TBXAS1QPCTQPCTL
Hydrochloric Acid SCHEMBL3504161 0.80 NFKB1 (0.36) CYP17A1TBXAS1QPCTQPCTL

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
CN-114471651-B Supported catalyst and preparation method and application thereof 中国石油化工股份有限公司 2023-07-21 CN claimed
EP-3658276-A1 COMPOSITE SORBENT, DEVICES, AND METHODS SABIC Global Technologies B.V. (NL) 2020-06-03 EP claimed
EP-3658202-A1 COMPOSITE SORBENT, DEVICES, AND METHODS SABIC Global Technologies B.V. (NL) 2020-06-03 EP claimed
CN-111032114-A Composite adsorbent, apparatus and method 沙特基础工业全球技术有限公司 2020-04-17 CN claimed
CN-110944746-A Composite adsorbent, apparatus and method 沙特基础工业全球技术有限公司 2020-03-31 CN claimed
WO-2019023355-A1 COMPOSITE SORBENT, DEVICES, AND METHODS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-01-31 WO claimed
WO-2019023350-A1 COMPOSITE SORBENT, DEVICES, AND METHODS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-01-31 WO claimed
CN-114105264-A Pretreatment device and method for improving pollution resistance and flux increase of pressure membrane 青岛科技大学 2022-03-01 CN disclosed
CN-111032114-A Composite adsorbent, apparatus and method 沙特基础工业全球技术有限公司 2020-04-17 CN disclosed
CN-110944746-A Composite adsorbent, apparatus and method 沙特基础工业全球技术有限公司 2020-03-31 CN disclosed
US-7304017-B2 Sorbent for use in process of solid phase extraction POLYMERICS GMBH (DE) 2007-12-04 US disclosed
US-20060138052-A1 Sorbent and process of solid phase extraction POLYMERICS GMBH (DE) 2006-06-29 US disclosed