SCHEMBL9568181

SCHEMBL9568181

CC[SnH](c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ PSIP1 O75475 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ CALM1 P0DP23 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TRPM2 O94759 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL10776023 0.77 TP53 (0.41) TP53PSIP1TDP1TSHRLMNA
SCHEMBL2849047 0.74 TDP1 (0.42) TP53PSIP1TDP1TSHRPCSK9
SCHEMBL20953824 0.69 TP53 (0.39) TP53PSIP1TSHRLMNAALOX12
SCHEMBL11054885 0.69 CALM1 (0.43) TP53TDP1TSHRALOX12CALM1
SCHEMBL9747193 0.67 TRPA1 (0.31) TSHRALDH1A1MAPK1
SCHEMBL7055454 0.65 — —
SCHEMBL10551724 0.65 TSHR (0.39) TP53TDP1TSHRLMNAALOX12
SCHEMBL20441 0.63 ALDH1A1 (0.40) TDP1TSHRLMNAALOX12ACHE
Biphenyl SCHEMBL9116003 0.63 ALDH1A1 (0.60) TP53TDP1ATMALDH1A1MEN1
SCHEMBL29097667 0.63 TSHR (0.37) TP53TDP1TSHRLMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 — — EP disclosed
Send feedback