SCHEMBL3849038

SCHEMBL3849038

In1[c]cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
KAT2B Q92831 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
NOTUM Q6P988 2/20 0.32
CDK4 P11802 3/20 0.32
CCND1 P24385 3/20 0.32
CYP2A6 P11509 1/20 0.32
ALOX12 P18054 1/20 0.32
DAO P14920 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 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
SCHEMBL127255 0.71 DAO (0.35) CA12CA9BRD4BRPF1KAT2B
SCHEMBL137023 0.71 CA12 (0.39) CA12CA9BRD4BRPF1KAT2B
SCHEMBL570353 0.71 CDK4 (0.32) CA12CA9BRD4BRPF1KAT2B
SCHEMBL650735 0.71 NOS2 (0.34) CA12CA9BRD4BRPF1KAT2B
SCHEMBL2073401 0.71 CDK4 (0.32) CA12CA9BRD4BRPF1KAT2B
SCHEMBL2073630 0.71 CDK4 (0.32) CA12CA9BRD4BRPF1KAT2B
SCHEMBL7300677 0.71 CYP2A6 (0.34) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1642678 0.70 DAO (0.39) NOTUMDAOKMT2ATSHRALDH1A1
SCHEMBL1642664 0.69 LMNA (0.38) NOTUMDAOKMT2ATSHRALDH1A1
SCHEMBL366240 0.69 ALDH1A1 (0.33) KMT2ATSHRALDH1A1RAB9AMEN1

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-1196624-B1 TEST MEDIA FOR IDENTIFICATION AND DIFFERENTIATION OF ENTEROBACTERIACEAE MICROLOGY LAB L L C (US) 2009-09-23 EP disclosed