SCHEMBL19190075

SCHEMBL19190075

Cc1ccc(C(=O)N(CCN(C)C)CCN(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRD1 P41143 3/20 0.47
ALDH1A1 P00352 4/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MLYCD O95822 2/20 0.45
LIMK2 P53671 1/20 0.45
MAPT P10636 2/20 0.44
UTS2R Q9UKP6 1/20 0.44
OPRM1 P35372 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42

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
SCHEMBL11983688 0.93 HPGD (0.57) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL12237841 0.85 CDK4 (0.50) LMNASMN1; SMN2ALDH1A1CES2CES1
SCHEMBL31295694 0.83 OPRD1 (0.46) HPGDMEN1KMT2AOPRD1ALDH1A1
SCHEMBL7967022 0.82 MLYCD (0.64) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL15071548 0.82 HPGD (0.59) HPGDMEN1KMT2AOPRD1ALDH1A1
SCHEMBL7456186 0.82 ALDH1A1 (0.46) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL121475 0.82 HPGD (0.66) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL17817832 0.79 NTRK2 (0.49) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10455765 0.79 EGFR (0.62) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL9888697 0.78 MLYCD (0.57) SMN1; SMN2MEN1KMT2AOPRD1ALDH1A1

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
EP-2794595-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed