SCHEMBL11401372

SCHEMBL11401372

Cn1ccn(-c2ccc(Cc3ccccc3)c(CCl)c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ CTRC Q99895 3/20 0.38
▸ HPGD P15428 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC9A3 P48764 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PAK1 Q13153 1/20 0.32
▸ ADCY10 Q96PN6 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL11399693 0.79 HCAR1 (0.43) PDE3BPDE3AHPGDKDM4EALDH1A1
SCHEMBL7133435 0.70 GSK3A (0.48) HPGDKDM4EALDH1A1SLC9A3SMN1; SMN2
SCHEMBL11545651 0.68 PDE3B (0.52) PDE3BPDE3AHPGDKDM4EALDH1A1
SCHEMBL11402098 0.67 PAK1 (0.36) PDE3BPDE3AHPGDCYP3A4PAK1
SCHEMBL11831603 0.66 PDE3B (0.40) PDE3BPDE3ACTRCHPGDKDM4E
SCHEMBL30931108 0.66 ALOX5 (0.42) HPGDKDM4EALDH1A1SLC9A3SMN1; SMN2
SCHEMBL6081579 0.65 HSP90AA1 (0.45) HPGDCYP3A4
SCHEMBL3821433 0.65 HTR2A (0.56) CTRCHPGDCYP3A4NR1H2SMN1; SMN2
SCHEMBL11388402 0.64 MGLL (0.49) SLC9A3
SCHEMBL31196427 0.63 CYP11B2 (0.43) RXFP1PAK1BRD4

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-4279637-A Herbicidal N-substituted 4-imidazolin-2-ones VELSICOL CHEMICAL CORPORATION (US) 1981-07-21 — — US disclosed
Send feedback