SCHEMBL11836334

SCHEMBL11836334

Cc1ccc(CCCN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ KDM4E B2RXH2 6/20 0.60
▸ RAD52 P43351 3/20 0.57
▸ POLB P06746 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ LMNA P02545 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ GAA P10253 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ DRD2 P14416 3/20 0.52
▸ HTR1A P08908 2/20 0.52
▸ HTR2A P28223 2/20 0.52

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
SCHEMBL11841247 0.89 KDM4E (0.68) MEN1KMT2AKDM4ERAD52POLB
SCHEMBL11838114 0.85 KDM4E (0.67) KDM4ERAD52POLBRXFP1LMNA
SCHEMBL11811501 0.82 MEN1 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11834897 0.81 KDM4E (0.76) MEN1KMT2AKDM4ERAD52POLB
SCHEMBL11848412 0.81 KDM4E (0.68) MEN1KMT2AKDM4ERAD52POLB
SCHEMBL12413492 0.77 KDM4E (0.66) MEN1KMT2AKDM4ERAD52POLB
SCHEMBL11623083 0.77 HEXA (0.74) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6272682 0.76 MAPT (0.73) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11835734 0.76 KDM4E (0.65) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11632652 0.76 NPSR1 (0.67) KDM4ERAD52POLBRXFP1LMNA

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
US-3940397-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 — — US disclosed
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