SCHEMBL9544700

SCHEMBL9544700

CN(C)CCCn1c2ccc(O)cc2c2c3c(c4c5cc(O)ccc5[nH]c4c21)C(=O)NC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 5/20 1.00
PRKCA P17252 3/20 0.59
PRKCQ Q04759 2/20 0.59
PRKCD Q05655 2/20 0.59
PRKD3 O94806 1/20 0.59
PRKCG P05129 1/20 0.59
PRKCB P05771 1/20 0.59
PRKCH P24723 1/20 0.59
PRKCI P41743 1/20 0.59
PRKCE Q02156 1/20 0.59
PRKCZ Q05513 1/20 0.59
PRKD1 Q15139 1/20 0.59
ROCK2 O75116 6/20 0.58
WEE1 P30291 2/20 0.54
MAP3K5 Q99683 2/20 0.53
IKBKB O14920 1/20 0.53
PIM1 P11309 1/20 0.53
ROCK1 Q13464 1/20 0.53
CDK4 P11802 1/20 0.52
PRKACA P17612 1/20 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
SCHEMBL9545512 0.96 MYLK (0.93) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL9544881 0.88 MYLK (1.00) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL8122794 0.86 MYLK (0.76) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL9544714 0.84 MYLK (0.93) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL9545347 0.84 MYLK (0.73) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL9200997 0.84 MYLK (1.00) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL9544701 0.80 MYLK (0.73) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL9198039 0.80 MYLK (0.93) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL9259880 0.75 ROCK2 (1.00) MYLKPRKCAPRKCQPRKCDPRKD3
SCHEMBL8120779 0.74 MYLK (0.77) MYLKPRKCAPRKCQPRKCDPRKD3

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
WO-1993024490-A1 USE OF INDOLOCARBAZOLS IN AIDS TREATMENT Gödecke Aktiengesellschaft (DE) 1993-12-09 WO claimed
WO-1993024490-A1 USE OF INDOLOCARBAZOLS IN AIDS TREATMENT Gödecke Aktiengesellschaft (DE) 1993-12-09 WO disclosed