SCHEMBL23474255

SCHEMBL23474255

Cc1sc(C(=O)NCc2ccccc2Cl)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
PKM P14618 1/20 0.53
BACE1 P56817 1/20 0.53
MAPT P10636 5/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CHRM4 P08173 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL23511435 0.86 HDAC1 (0.56) TP53TDP1HDAC1HDAC6KMT2A
SCHEMBL23511678 0.84 HDAC1 (0.51) TP53TDP1HDAC1HDAC6KMT2A
SCHEMBL23474252 0.82 EPHX2 (0.50) KMT2ACYP1A2CYP2C19CNR1CNR2
SCHEMBL23474257 0.81 CSNK2A2 (0.55) HDAC1HDAC6KMT2AALDH1A1RAB9A
SCHEMBL10321485 0.75 SMN1; SMN2 (0.59) TP53KMT2AALDH1A1MAPTNPC1
SCHEMBL6092115 0.75 HDAC1 (0.52) TP53HDAC1HDAC6KMT2AALDH1A1
SCHEMBL14727425 0.74 ALDH1A1 (0.68) TP53TDP1KMT2AALDH1A1POLB
SCHEMBL29994178 0.74 ALDH1A1 (0.68) TP53TDP1KMT2AALDH1A1POLB
SCHEMBL6530703 0.73 IKBKB (0.51) TP53TDP1HDAC1HDAC6KMT2A
SCHEMBL10321815 0.73 SMN1; SMN2 (0.63) TP53KMT2AALDH1A1MAPTPOLB

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
WO-2021178902-A1 METHODS OF INHIBITING MASP-2 FOR THE TREATMENT AND/OR PREVENTION OF CORONAVIRUS-INDUCED ACUTE RESPIRATORY DISTRESS SYNDROME OMEROS CORPORATION (US) 2021-09-10 WO disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed