Methane

Methane

SCHEMBL23716277

C.COc1ccc(Cc2ncc(C)cc2Cl)cc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PDE10A Q9Y233 1/20 0.44
DCTPP1 Q9H773 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
ALOX5 P09917 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
LTA4H P09960 1/20 0.41
KDR P35968 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
SCHEMBL17664012 0.85 SMN1; SMN2 (0.50) ALDH1A1LMNASMN1; SMN2POLBPDE3B
SCHEMBL23716436 0.80 TRPM8 (0.41) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL27433056 0.79 MEN1 (0.66) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL17173719 0.70 CCR1 (0.34) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL15325999 0.69 SLC5A2 (0.51) ALDH1A1LMNASMN1; SMN2LTA4H
SCHEMBL4292188 0.69 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2ALOX5NPSR1
SCHEMBL27746661 0.69 LTA4H (0.46) ALDH1A1LMNASMN1; SMN2DCTPP1MEN1
Ammonia Solution, Strong SCHEMBL29153964 0.69 PDE3B (0.58) ALDH1A1LMNASMN1; SMN2POLBPDE3B
SCHEMBL1445884 0.69 PDE10A (0.73) ALDH1A1LMNASMN1; SMN2PDE3BPDE3A
SCHEMBL17851265 0.68 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2POLBMEN1

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed