SCHEMBL3843686

SCHEMBL3843686

Nc1c(C(=O)O)n(C2CC2)c2ccncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.40
RPS6KA5 O75582 3/20 0.38
KDM4C Q9H3R0 5/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
BTK Q06187 1/20 0.32
PADI4 Q9UM07 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL1919948 0.84 ALDH1A1 (0.43) ELANERPS6KA5ALDH1A1KDM4ETDP1
SCHEMBL8138907 0.73 TUBB4A (0.44) RPS6KA5KDM4CALDH1A1KDM4EMEN1
SCHEMBL1921116 0.70 MAP2K1 (0.43) CYP2C9
SCHEMBL14160373 0.69 ELANE (0.32) ELANEKDM4CKDM5AKDM5B
SCHEMBL28635648 0.69 RPS6KA5 (0.48) RPS6KA5ALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL3777989 0.68 MAP2K2 (0.37) ELANEKDM4CKDM5AKDM5B
SCHEMBL9051924 0.67 KDM4E (0.60) ELANEKDM4CALDH1A1KDM4EMEN1
SCHEMBL11480444 0.63 KDM5A (0.47) ALDH1A1KDM4EMEN1KMT2APADI4
SCHEMBL19743052 0.63 ALDH1A1 (0.50) RPS6KA5ALDH1A1KDM4EMEN1MAPT
SCHEMBL21482571 0.62 MEN1 (0.55) ALDH1A1MEN1KMT2A

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-2099796-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-09-16 EP disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed