SCHEMBL27415682

SCHEMBL27415682

c1ccc2c(c1)nnn2Cc1ncncn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 7/20 0.60
▸ GRM2 Q14416 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.55
▸ KCNMA1 Q12791 1/20 0.54
▸ TSHR P16473 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTK2 Q05397 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ GLA P06280 1/20 0.47
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL2734889 0.75 GRM2 (1.00) SLC9A1GRM2TDP1KCNMA1ALDH1A1
SCHEMBL1774497 0.74 SLC9A1 (0.70) SLC9A1GRM2TDP1KCNMA1TSHR
SCHEMBL31234269 0.74 SLC9A1 (0.70) SLC9A1GRM2TDP1KCNMA1TSHR
SCHEMBL16892016 0.71 GRM2 (0.71) SLC9A1GRM2TDP1KCNMA1ALDH1A1
SCHEMBL260406 0.71 SLC9A1 (0.66) SLC9A1GRM2TDP1KCNMA1TSHR
SCHEMBL251561 0.71 SLC9A1 (0.66) SLC9A1GRM2TDP1KCNMA1TSHR
SCHEMBL14796568 0.71 SLC9A1 (0.79) SLC9A1GRM2TDP1TSHRHPGD
SCHEMBL18306880 0.71 SLC9A1 (0.66) SLC9A1GRM2TDP1KCNMA1TSHR
SCHEMBL3259919 0.71 SLC9A1 (0.66) SLC9A1GRM2TDP1KCNMA1TSHR
SCHEMBL3107127 0.71 SLC9A1 (0.66) SLC9A1GRM2TDP1KCNMA1TSHR

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
CN-1118797-A Embossing inhibitor ARMSTRONG WORLD IND INC (US) 1996-03-20 — — CN claimed
CN-1118797-A Embossing inhibitor ARMSTRONG WORLD IND INC (US) 1996-03-20 — — CN disclosed
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