SCHEMBL9260997

SCHEMBL9260997

Cc1cccn2c(=O)c(-c3nnn(Cc4ccc(Cl)c(Cl)c4)n3)cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
MAPT P10636 2/20 0.41
FSCN1 Q16658 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.38
TP53 P04637 3/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
UBE2N P61088 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL9262148 0.87 LMNA (0.44) MAPTL3MBTL1LMNATP53TSHR
SCHEMBL9277725 0.83 ESR1 (0.51) ESR1MAPTL3MBTL1TP53HTT
SCHEMBL9259178 0.82 P2RX7 (0.42) MAPTFSCN1LMNATP53TDP1
SCHEMBL9255747 0.81 TP53 (0.40) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL9210655 0.79 TP53 (0.39) MAPTLMNATP53ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9219227 0.79 TP53 (0.39) MAPTLMNATP53ALDH1A1HPGD
SCHEMBL9256673 0.79 TP53 (0.39) MAPTLMNATP53MEN1ALDH1A1
SCHEMBL9259987 0.78 TP53 (0.50) MAPTLMNATP53HTTPOLB
SCHEMBL9213292 0.78 MAPT (0.38) MAPTLMNATP53ALOX15TSHR
SCHEMBL9255403 0.78 MAPT (0.38) MAPTL3MBTL1LMNATP53ALDH1A1

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
US-5475000-A Antiulcer agents CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-12-12 US disclosed