SCHEMBL22130286

SCHEMBL22130286

NC(=O)Cc1nc2ccc(N)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
MAPT P10636 12/20 0.48
ALDH1A1 P00352 7/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GFER P55789 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 5/20 0.48
GAA P10253 5/20 0.48
HPGD P15428 5/20 0.48
GLA P06280 3/20 0.48
TP53 P04637 2/20 0.48
PKM P14618 2/20 0.48
POLB P06746 2/20 0.48
PTBP1 P26599 1/20 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
SCHEMBL20357506 0.86 SMN1; SMN2 (0.49) SMN1; SMN2CA1CA2CA4MAPT
SCHEMBL30440638 0.83 DYRK1A (0.55) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL4590686 0.83 SMN1; SMN2 (0.56) SMN1; SMN2CA1CA2CA4MAPT
SCHEMBL22130133 0.81 ALDH1A1 (0.59) SMN1; SMN2CA2MAPTALDH1A1NPC1
SCHEMBL10830079 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA4MAPT
SCHEMBL11337470 0.80 ACP1 (0.46) SMN1; SMN2CA1CA2MAPTALDH1A1
SCHEMBL12210994 0.80 LIPG (0.58)
SCHEMBL77032 0.79 KMT2A (0.68) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL2093965 0.79 ACP1 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL3251161 0.78 UBE2T (0.59) SMN1; SMN2CA1CA2CA4MAPT

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-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 WO disclosed