SCHEMBL23749591

SCHEMBL23749591

NN(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.55
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KIF11 P52732 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL28252124 0.97 KCNN4 (0.52) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL30085336 0.82 KCNN4 (0.55) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL14403082 0.80 KCNN4 (0.52) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL14857236 0.75 KCNN4 (0.60) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL6134821 0.74 KCNN4 (0.52) KCNN4TSHRALDH1A1TAAR1MAPK1
SCHEMBL27745335 0.72 KCNN4 (0.44) KCNN4TSHRALDH1A1TAAR1MAPT
SCHEMBL11769050 0.71 KCNN4 (0.55) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL5921941 0.71 KCNN4 (1.00) KCNN4TSHRALDH1A1TAAR1MAPK1
SCHEMBL28100572 0.71 KCNN4 (0.55) KCNN4TSHRALDH1A1TAAR1MAPK1
SCHEMBL10425497 0.69 KCNN4 (0.58) KCNN4TSHRALDH1A1MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3863971-A1 PROCESS FOR PRODUCING LIQUID POLYSILANES AND ISOMER ENRICHED HIGHER SILANES L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2021-08-18 EP disclosed
CN-106030891-B Method for producing fluoride ion-conductive electrolyte and method for producing fluoride ion battery 丰田自动车株式会社 2018-11-23 CN disclosed