SCHEMBL9525347

SCHEMBL9525347

CCCC(C)c1cccc(-c2ccccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
HTT P42858 3/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALPL P05186 1/20 0.52
HSP90AA1 P07900 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 2/20 0.44
POLB P06746 1/20 0.44
METAP1 P53582 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL11795476 0.87 KDM4E (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22060302 0.81 KCNA5 (0.53) LMNASMN1; SMN2CYP1A2HIF1AKCNA5
SCHEMBL16477945 0.81 KCNA5 (0.53) LMNASMN1; SMN2CYP1A2HIF1AKCNA5
SCHEMBL1156021 0.81 KCNA5 (0.53) LMNASMN1; SMN2CYP1A2HIF1AKCNA5
SCHEMBL20034107 0.81 KCNA5 (0.53) LMNASMN1; SMN2CYP1A2HIF1AKCNA5
SCHEMBL13883296 0.80 KDM4E (0.63) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16976538 0.77 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL13484333 0.76 FAAH (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21715702 0.73 HTR1A (0.35) TP53KCNH2
SCHEMBL18158031 0.73 KDM4E (0.63) KDM4ELMNACCR1CCR5CCR8

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-0227162-B1 COMPLEX-FORMING POLYMERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-09-22 EP disclosed
EP-0227162-A2 Complex-forming polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-01 EP disclosed