SCHEMBL9314616

SCHEMBL9314616

CSc1ncccc1C(=O)NCC#N

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
EGLN1 Q9GZT9 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 1/20 0.53
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
ATM Q13315 1/20 0.51
CTSB P07858 1/20 0.50

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
SCHEMBL13485305 0.84 HPGD (0.67) HPGDKMT2AMEN1TDP1RAB9A
SCHEMBL31339222 0.80 KMT2A (0.64) HPGDKMT2AMEN1TDP1RAB9A
Hydrochloric Acid SCHEMBL9313499 0.79 HPGD (0.61) HPGDKMT2AMEN1TDP1RAB9A
SCHEMBL9314355 0.79 KMT2A (0.66) HPGDKMT2AMEN1TDP1RAB9A
SCHEMBL9314349 0.77 KMT2A (0.64) HPGDKMT2AMEN1TDP1RAB9A
SCHEMBL1568625 0.76 HDAC6 (0.57) KMT2AEGLN1CTSB
SCHEMBL10655393 0.75 KDM4E (0.56) KMT2AEGLN1TDP1CTSB
SCHEMBL7572059 0.73 P2RX7 (0.60) HPGDKMT2AMEN1RAB9A
SCHEMBL355357 0.73 ALDH1A1 (0.59) KMT2AEGLN1TDP1RAB9ANPC1
SCHEMBL8284968 0.73 KMT2A (0.62) HPGDKMT2AMEN1TDP1RAB9A

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-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
EP-0549600-A1 5-TRIFLUOROACYLAMINO-2-ARYL OXAZOLES PFIZER INC. (US) 1993-07-07 EP disclosed
EP-0506982-A1 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO disclosed
WO-1992005163-A1 5-TRIFLUOROACYLAMINO-2-ARYL OXAZOLES PFIZER INC. (US) 1992-04-02 WO disclosed