SCHEMBL20397442

SCHEMBL20397442

CCCCCC(S)n1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.44
TBXAS1 P24557 1/20 0.44
CYP19A1 P11511 3/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TBXA2R P21731 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
SCHEMBL909982 0.98 TBXAS1 (0.47) CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6
SCHEMBL6060901 0.95 CYP17A1 (0.49) CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4
SCHEMBL20397466 0.87 CYP17A1 (0.46) CYP17A1TBXAS1CYP19A1
SCHEMBL3421199 0.80 TBXAS1 (0.50) CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4
SCHEMBL2398555 0.80 TBXAS1 (0.46) CYP17A1TBXAS1CYP19A1
SCHEMBL19611321 0.80 TBXAS1 (0.50) CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6
SCHEMBL28566983 0.80 TBXAS1 (0.50) CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6
SCHEMBL18885407 0.80 TBXAS1 (0.50) CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6
SCHEMBL3851254 0.80 TBXAS1 (0.50) CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6
SCHEMBL9722522 0.80 TBXAS1 (0.50) CYP17A1TBXAS1CYP19A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829861-B2 Reduction catalyst, and chemical reactor, reduction method and reduction product-producing system employing the catalyst KABUSHIKI KAISHA TOSHIBA (JP) 2020-11-10 US claimed
EP-3354338-B1 REDUCTION CATALYST, CHEMICAL REACTOR, REDUCTION METHOD AND REDUCTION PRODUCT-PRODUCING SYSTEM EMPLOYING THE CATALYST TOSHIBA KK (JP) 2019-10-02 EP claimed
EP-3354338-A1 REDUCTION CATALYST, AND CHEMICAL REACTOR, REDUCTION METHOD AND REDUCTION PRODUCT-PRODUCING SYSTEM EMPLOYING THE CATALYST KABUSHIKI KAISHA TOSHIBA (JP) 2018-08-01 EP claimed
US-20180209053-A1 REDUCTION CATALYST, AND CHEMICAL REACTOR, REDUCTION METHOD AND REDUCTION PRODUCT-PRODUCING SYSTEM EMPLOYING THE CATALYST KABUSHIKI KAISHA TOSHIBA (JP) 2018-07-26 US claimed
US-20250129487-A1 PRODUCTION METHOD FOR AMMONIA AND PRODUCTION DEVICE NISSAN CHEMICAL CORPORATION (JP) 2025-04-24 US disclosed
US-20230295813-A1 AMMONIA PRODUCTION METHOD AND AMMONIA PRODUCTION APPARATUS NISSAN CHEMICAL CORPORATION (JP) 2023-09-21 US disclosed
US-20230295818-A1 AMMONIA PRODUCTION METHOD AND AMMONIA PRODUCTION APPARATUS THE UNIVERSITY OF TOKYO (JP) 2023-09-21 US disclosed
WO-2023113033-A1 GAS DIFFUSION ELECTRODE 日産化学株式会社 2023-06-22 WO disclosed
WO-2023106424-A1 PRODUCTION METHOD FOR AMMONIA AND PRODUCTION DEVICE 日産化学株式会社 2023-06-15 WO disclosed
CN-116194211-A Method and apparatus for producing ammonia 日产化学株式会社 2023-05-30 CN disclosed