SCHEMBL21394720

SCHEMBL21394720

C#CCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ABL1 P00519 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL21395125 0.89 ALDH1A1 (0.40) MMEALDH1A1TSHRNPC1RAB9A
SCHEMBL29358443 0.88 RAB9A (0.46) MMEABCC8KCNJ11ALDH1A1TSHR
SCHEMBL21394481 0.88 RAB9A (0.46) MMEABCC8KCNJ11ALDH1A1TSHR
SCHEMBL21394760 0.84 L3MBTL1 (0.47) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29354586 0.84 L3MBTL1 (0.47) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29353959 0.81 ALDH1A1 (0.42) MMEALDH1A1TSHRNPC1RAB9A
SCHEMBL21394980 0.81 ALDH1A1 (0.42) MMEALDH1A1TSHRNPC1RAB9A
SCHEMBL21394766 0.80 ALDH1A1 (0.39) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL21384407 0.79 L3MBTL1 (0.43) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29356947 0.79 L3MBTL1 (0.43) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed