SCHEMBL30998387

SCHEMBL30998387

Nc1cc(C2CCNCC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
ACHE P22303 4/20 0.49
NCF1 P14598 2/20 0.46
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ILK Q13418 1/20 0.41
HTR3A P46098 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
NUDT1 P36639 1/20 0.40
HTT P42858 1/20 0.39
HTR2C P28335 3/20 0.39
BCHE P06276 2/20 0.39
KCNH2 Q12809 2/20 0.39
HTR2A P28223 1/20 0.39

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 SCHEMBL29862942 0.98 KMT2A (0.49) HRH4MEN1KMT2APOLBACHE
SCHEMBL29636853 0.87 NCF1 (0.42) HRH4MEN1KMT2APOLBACHE
SCHEMBL31677954 0.82 POLB (0.49) POLBACHENCF1HTR3AALDH1A1
Hydrochloric Acid SCHEMBL29862880 0.81 KMT2A (0.46) HRH4MEN1KMT2APOLBACHE
SCHEMBL29636762 0.79 NCF1 (0.38) MEN1KMT2APOLBACHENCF1
Hydrochloric Acid SCHEMBL28834209 0.77 HRH4 (0.46) HRH4MEN1KMT2AILKNPC1
SCHEMBL8567840 0.76 POLB (0.47) HRH4MEN1KMT2APOLBSLC18A3
SCHEMBL29636644 0.76 KMT2A (0.42) HRH4MEN1KMT2APOLBACHE
SCHEMBL28967174 0.76 KMT2A (0.42) HRH4MEN1KMT2APOLBACHE
SCHEMBL23015130 0.74 ACP1 (0.49)

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-2024119028-A1 SUBSTITUTED QUINOLINE DERIVATIVES HAVING SOS1 INHIBITION ACTIVITIES AND USES THEREOF ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-06-06 WO disclosed