SCHEMBL8385648

SCHEMBL8385648

Cc1nc2ncnn2c(N2CCCCC2)c1-c1c(F)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 5/20 0.43
PDE2A O00408 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ENPP1 P22413 1/20 0.41
PAX2 Q02962 1/20 0.40
APP P05067 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 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
SCHEMBL14491201 0.91 ALDH1A1 (0.46) TSHRKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL4820465 0.90 PDE2A (0.39) TSHRKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL8916197 0.90 PDE2A (0.39) TSHRKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL4818506 0.89 TSHR (0.46) TSHRKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL8386776 0.84 TSHR (0.46) TSHRKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL4821987 0.83 TSHR (0.40) TSHRKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL8916786 0.83 TSHR (0.40) TSHRKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL5433058 0.83 ALDH1A1 (0.46) TSHRKMT2AMEN1ALDH1A1PDE2A
SCHEMBL5731714 0.81 PDE2A (0.47) ALDH1A1PDE2AENPP1
SCHEMBL5434416 0.81 ALDH1A1 (0.44) TSHRKMT2AMEN1ALDH1A1PDE2A

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
US-5994360-A Fungicidal 5-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 1999-11-30 US claimed
US-5994360-A Fungicidal 5-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 1999-11-30 US disclosed