SCHEMBL15330642

SCHEMBL15330642

CC(c1cccc(C=O)c1)c1c[nH]cn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 1/20 0.34
EGFR P00533 1/20 0.33
AXL P30530 1/20 0.32
CDK8 P49336 1/20 0.32
UNG P13051 1/20 0.32
TYR P14679 1/20 0.32
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
FGFR1 P11362 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2104696 0.78 CYP19A1 (0.37) EGFR
SCHEMBL2104149 0.76 HTR2C (0.39) TYR
SCHEMBL7099092 0.74 MAPKAPK2 (0.42) ALDH1A1BRD4EGFRNPC1RAB9A
Hydrochloric Acid SCHEMBL7098182 0.73 MAPKAPK2 (0.41) ALDH1A1BRD4EGFRNPC1RAB9A
SCHEMBL6967932 0.73 KMT2A (0.35) ALDH1A1RAB9A
SCHEMBL15331149 0.72 KMT2A (0.36) ALDH1A1TDP1
SCHEMBL7099135 0.71 ADRA1A (0.43) ALDH1A1BRD4NPC1RAB9A
SCHEMBL5801661 0.71 LMNA (0.32)
SCHEMBL727874 0.70 TYR (0.56) ALDH1A1BRD4UNGTYRMAOA
SCHEMBL30291836 0.70 TYR (0.56) ALDH1A1BRD4UNGTYRMAOA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed