SCHEMBL7437441

SCHEMBL7437441

Cc1ccccc1C(C)(N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.42
TAAR1 Q96RJ0 2/20 0.40
KIF11 P52732 1/20 0.38
MAPK1 P28482 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CASR P41180 1/20 0.37
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
Hydrochloric Acid SCHEMBL2967639 0.98 KCNN4 (0.41) KCNN4TAAR1KIF11MAPK1GABRA1
Bromide SCHEMBL9346402 0.98 KCNN4 (0.41) KCNN4TAAR1KIF11MAPK1GABRA1
SCHEMBL26222955 0.86 TSHR (0.45) TAAR1GABRA1GABRB2TSHRACHE
SCHEMBL1618598 0.86 KCNN4 (0.43) KCNN4TAAR1KIF11MAPK1GABRA1
Iodide SCHEMBL1618290 0.84 KCNN4 (0.41) KCNN4TAAR1KIF11MAPK1GABRA1
Water SCHEMBL3190735 0.84 KCNN4 (0.41) KCNN4TAAR1KIF11MAPK1GABRA1
SCHEMBL2780246 0.82 KCNN4 (0.46) KCNN4TAAR1KIF11MAPK1GABRA1
SCHEMBL29025450 0.81 TSHR (0.45) KCNN4TAAR1KIF11GABRA1GABRB2
SCHEMBL17336269 0.80 KCNN4 (0.57) KCNN4TAAR1KIF11MAPK1GABRA1
Hydrochloric Acid SCHEMBL28999079 0.78 KCNN4 (0.55) KCNN4TAAR1KIF11MAPK1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950223-A WATER SOLUBLE AMINO SUGARS, AMINO ACIDS, AND CATIONIC SURFACTANTS AJINOMOTO CO., INC. (JA) 1976-04-13 US claimed
EP-0421367-B1 Anticoagulant peptides MERRELL PHARMA INC (US) 1998-04-22 EP disclosed
US-5288702-A Floral or fruit-like odor TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-22 US disclosed
US-3990980-A Hybrid liquid toners PHILIP A. HUNT CHEMICAL CORPORATION (US) 1976-11-09 US disclosed
US-3991226-A Method of creating an image using hybrid liquid toners PHILIP A. HUNT CHEMICAL CORPORATION (US) 1976-11-09 US disclosed
US-3950223-A WATER SOLUBLE AMINO SUGARS, AMINO ACIDS, AND CATIONIC SURFACTANTS AJINOMOTO CO., INC. (JA) 1976-04-13 US disclosed