SCHEMBL1957909

SCHEMBL1957909

CCCCCCCc1n[nH]c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.38
KCNH2 Q12809 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL9830433 0.92 SMN1; SMN2 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL26106560 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL26109106 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL8658462 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL26111776 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL26109650 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL26111987 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL10706004 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL8658631 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL8660213 0.88 CASP1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2LMNA

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-4902443-A ANTISCALING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-20 US claimed
EP-0249148-A2 2-Hydroxydodecylmonoesters of dicarboxylic acids, their salts and their use as corrosion inhibitors in aqueous systems Henkel Kommanditgesellschaft auf Aktien (DE) 1987-12-16 EP claimed
EP-2333884-A1 Al/H2O2 battery Celaya, Emparanza Y Galdos Internacional, S.A. (ES) 2011-06-15 EP disclosed
US-4902443-A ANTISCALING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-20 US disclosed
EP-0162875-B1 CORROSION INHIBITORS FOR ALUMINIUM Henkel Kommanditgesellschaft auf Aktien (DE) 1989-02-15 EP disclosed
EP-0160042-B1 CORROSION INHIBITORS FOR ZINC Henkel Kommanditgesellschaft auf Aktien (DE) 1988-10-05 EP disclosed
US-4647429-A Corrosion inhibitors for aluminum HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-03-03 US disclosed
US-4636359-A Method for inhibiting corrosion of zinc using bis-triazoles HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-01-13 US disclosed
EP-0160042-A1 CORROSION INHIBITORS FOR ZINC. HENKEL KGAA (DE) 1985-11-06 EP disclosed
WO-1985001964-A1 CORROSION INHIBITORS FOR ZINC HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-05-09 WO disclosed