SCHEMBL29535017

SCHEMBL29535017

NC(=O)C1(c2cc3cc[nH]c3cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.45
MAOB P27338 4/20 0.41
ABL1 P00519 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ENPP2 Q13822 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F2 P00734 1/20 0.36
SYK P43405 3/20 0.35
RIPK1 Q13546 1/20 0.35
PRKCI P41743 1/20 0.34
CCNT1 O60563 1/20 0.34
CCND1 P24385 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34

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
Formic Acid SCHEMBL29534961 0.95 HDAC6 (0.41) HDAC6MAOBABL1KDM4EALDH1A1
SCHEMBL29534057 0.81 MAOB (0.44) HDAC6MAOBABL1KDM4EALDH1A1
SCHEMBL29534926 0.77 TGFBR1 (0.34) SYKPI4K2A
SCHEMBL29773124 0.75 SLC6A2 (0.48) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL5114241 0.75 SLC6A2 (0.48) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL31165205 0.72 LCK (0.33)
SCHEMBL1207795 0.72 HDAC6 (0.48) HDAC6MAOBF2SYKRIPK1
SCHEMBL21359258 0.72 HDAC6 (0.66) HDAC6MAOBABL1SYKRIPK1
SCHEMBL30008753 0.72 RIPK1 (0.35) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL30907651 0.72 OPRL1 (0.36) ABL1

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
EP-4225742-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed