SCHEMBL18622303

SCHEMBL18622303

O=C1CCCCC1C(=O)c1ncccn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.60
▸ MAPK1 P28482 1/20 0.49
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10521582 0.78 CYP2D6 (0.39) MCL1CYP2D6P2RX7
SCHEMBL7922437 0.76 MCL1 (0.70) MCL1MAPK1LMNASMN1; SMN2CYP1A2
SCHEMBL10885557 0.76 MCL1 (0.82) MCL1MAPK1LMNASMN1; SMN2CYP1A2
SCHEMBL22547236 0.76 MCL1 (0.55) MCL1MAPK1LMNACYP1A2RECQL
SCHEMBL18622326 0.75 MCL1 (0.55) MCL1MAPK1LMNASMN1; SMN2CYP1A2
SCHEMBL15858781 0.75 MCL1 (0.44) MCL1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL600072 0.75 MCL1 (1.00) MCL1MAPK1LMNASMN1; SMN2CYP1A2
SCHEMBL1720721 0.74 MCL1 (0.67) MCL1MAPK1SMN1; SMN2KDM4EKMT2A
SCHEMBL15500909 0.73 MCL1 (0.53) MCL1MAPK1LMNASMN1; SMN2CYP1A2
SCHEMBL3553694 0.73 MCL1 (0.60) MCL1MAPK1CYP1A2RECQLCYP2D6

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
US-9595683-B2 Organometallic compounds and organic light emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-14 — — US disclosed
US-9595683-B2 Organometallic compounds and organic light emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-14 — — US disclosed
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