SCHEMBL20385461

SCHEMBL20385461

O=C(c1ccccc1)c1ccncc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
KDM4C Q9H3R0 3/20 0.47
KDM4D Q6B0I6 2/20 0.47
MAPK14 Q16539 2/20 0.46
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
VNN1 O95497 1/20 0.44
MAPT P10636 2/20 0.43
LTA4H P09960 1/20 0.43
POLB P06746 1/20 0.42
PLOD2 O00469 2/20 0.42
CDC7 O00311 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42

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
SCHEMBL4137818 0.83 CES2 (0.49) KMT2AMEN1MAPK14
SCHEMBL4139690 0.81 HSD17B14 (0.54) KMT2AMEN1MAPK14ALDH1A1MAPT
SCHEMBL7824045 0.80 AKR1C3 (0.62) KMT2AMEN1KDM4CKDM4DAKR1C3
SCHEMBL7850570 0.80 AKR1C3 (0.62) KMT2AMEN1KDM4CKDM4DAKR1C3
SCHEMBL29578794 0.79 KDM4C (0.59) KMT2AMEN1KDM4CKDM4DALDH1A1
SCHEMBL82604 0.79 KDM4C (0.59) KMT2AMEN1KDM4CKDM4DALDH1A1
SCHEMBL1643213 0.79 ALDH1A1 (0.65) KMT2AMEN1KDM4CKDM4DMAPK14
SCHEMBL8693095 0.79 KMT2A (0.55) KMT2AMEN1KDM4CKDM4DMAPK14
SCHEMBL7404189 0.78 KMT2A (0.59) KMT2AMEN1MAPK14ALDH1A1GAA
Hydrochloric Acid SCHEMBL16703122 0.77 ALDH1A1 (0.62) KMT2AMEN1KDM4CKDM4DMAPK14

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
EP-4265613-A1 BENZENE RING COMPOUND AND USE THEREOF Nanjing Shijiang Medicine Technology Co., Ltd (CN) 2023-10-25 EP disclosed
WO-2018130227-A1 AROMATIC RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 山东罗欣药业集团股份有限公司 2018-07-19 WO disclosed