SCHEMBL27696604

SCHEMBL27696604

c1ccc(-c2cc(C3CCNCC3)n[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.51
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
HPGDS O60760 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GABRA1 P14867 5/20 0.41
GABRB2 P47870 5/20 0.41
HTR2A P28223 1/20 0.41

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
Hydrochloric Acid SCHEMBL3881594 0.98 POLB (0.50) POLBRAB9ASLC18A3SIGMAR1MKNK1
SCHEMBL6032677 0.86 MKNK1 (0.60) POLBMKNK1MKNK2MEN1KMT2A
SCHEMBL1108507 0.85 RAB9A (0.53) POLBRAB9AHPGDSKMT2AKDM4E
SCHEMBL20134937 0.84 SMN1; SMN2 (0.49) RAB9AMKNK1MKNK2MEN1KMT2A
SCHEMBL2755249 0.84 MKNK1 (0.49) POLBRAB9AMKNK1MKNK2MEN1
Bromide SCHEMBL1940375 0.84 MKNK1 (0.58) POLBMKNK1MKNK2MEN1KMT2A
SCHEMBL31601766 0.84 MKNK1 (0.47) POLBRAB9AMKNK1MKNK2MEN1
SCHEMBL31601661 0.84 ALDH1A1 (0.51) MKNK1MKNK2HPGDSALDH1A1HSD17B10
SCHEMBL31601884 0.84 ALDH1A1 (0.51) MKNK1MKNK2HPGDSALDH1A1HSD17B10
SCHEMBL31601724 0.81 HTR2C (0.53) POLBMKNK1MKNK2MEN1KMT2A

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
CN-120058674-A 4 (1H-pyrazol-3-yl) piperidinyl derivative, preparation method thereof and application thereof in preparation of MNK inhibitor 烟台新药创制山东省实验室 2025-05-30 CN disclosed
CN-101094854-A Constrained compounds as cgrp-receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2007-12-26 CN disclosed