SCHEMBL6824239

SCHEMBL6824239

Oc1cncc(N2CCCCC2)c1N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.36
SMARCA2 P51531 2/20 0.36
SMARCA4 P51532 2/20 0.36
PBRM1 Q86U86 2/20 0.36
POLB P06746 4/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KEAP1 Q14145 1/20 0.33
ADRA1A P35348 1/20 0.33
PKM P14618 1/20 0.33
CDC7 O00311 1/20 0.33
CDK9 P50750 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.32
CHKA P35790 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 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
SCHEMBL5761337 0.72 ALDH1A1 (0.35) NR1I2SMARCA2SMARCA4PBRM1POLB
SCHEMBL5756540 0.72 ALDH1A1 (0.35) NR1I2SMARCA2SMARCA4PBRM1POLB
Hydrochloric Acid SCHEMBL5754916 0.70 ALDH1A1 (0.34) NR1I2SMARCA2SMARCA4PBRM1POLB
SCHEMBL5759783 0.69 NR1I2 (0.33) NR1I2SMARCA2SMARCA4PBRM1POLB
SCHEMBL15301290 0.68 KEAP1 (0.48) NR1I2SMARCA2SMARCA4PBRM1POLB
Hydrochloric Acid SCHEMBL5754089 0.68 NR1I2 (0.33) NR1I2SMARCA2SMARCA4PBRM1POLB
SCHEMBL188043 0.68 GPR55 (0.44) POLBALDH1A1KEAP1NPC1MAPK1
SCHEMBL14283829 0.68 FYN (0.43) NR1I2SMARCA2SMARCA4PBRM1POLB
SCHEMBL28777073 0.67 POLB (0.40) NR1I2SMARCA2SMARCA4PBRM1POLB
SCHEMBL19986733 0.64 ADRB2 (0.67) POLBALDH1A1CHRNB2CHRNA4CHKA

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-6676932-B2 CONTAINING PYRIDAZINE DERIVATIVE SUNSCREEN AGENT SHISEIDO CO., LTD. (JP) 2004-01-13 US disclosed