SCHEMBL30453732

SCHEMBL30453732

C#CCOc1cccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PGK1 P00558 1/20 0.37
MAOA P21397 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL11475129 1.00 MAOB (0.44) MAOBCHRNB2CHRNA4MAPTCYP3A4
SCHEMBL11477909 0.79 NR1I2 (0.50) CHRNB2CHRNA4MAPTLMNAPOLB
SCHEMBL7394763 0.78 S1PR4 (0.46) MAOBMAPTCYP3A4CYP2A6HPGD
SCHEMBL11479292 0.78 LTA4H (0.54) MAOBMAPTCYP3A4CYP2A6POLB
SCHEMBL3645477 0.78 CHRNB2 (0.45) MAOBCHRNB2CHRNA4MAPTCYP3A4
SCHEMBL11755567 0.76 CHRNB2 (0.46) CHRNB2CHRNA4MAPTLMNAPOLB
SCHEMBL5981851 0.76 MAPT (0.50) MAOBMAPTCYP3A4CYP2A6HPGD
SCHEMBL30663731 0.75 MAPT (0.56) MAOBMAPTCYP3A4CYP2A6HPGD
SCHEMBL10347560 0.75 MAPT (0.56) MAOBMAPTCYP3A4CYP2A6HPGD
SCHEMBL2487083 0.75 RAB9A (0.56) MAPTCYP3A4LMNAPOLBMAPK1

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
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed